*HEADER    TOXIN                                   17-JUL-01   1JLZ              
*TITLE     SOLUTION STRUCTURE OF A K+-CHANNEL BLOCKER FROM THE                   
*TITLE    2 SCORPION TOXIN OF TITYUS CAMBRIDGEI                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TITYUSTOXIN ALPHA-KTX;                                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS SEQUENCE OCCURS NATURALLY IN SCORPION            
*SOURCE   4 TOXIN.                                                               
*KEYWDS    SCORPION VENOM, ALPHA-KTX,    K+-CHANNEL BLOCKER, NMR                 
*KEYWDS   2 STRUCTURE                                                            
*EXPDTA    NMR, 15 STRUCTURES                                                    
*AUTHOR    I.WANG, S.-H.WU, H.-K.CHANG, R.-C.SHIEH, H.-M.YU, C.CHEN              
*REVDAT   1   06-FEB-02 1JLZ    0                                                

assign (resid    2 and  name SG   )(resid   15 and  name SG   ) 2.00 0.20 0.30
assign (resid    5 and  name SG   )(resid   20 and  name SG   ) 2.00 0.20 0.30
assign (resid    9 and  name SG   )(resid   22 and  name SG   ) 2.00 0.20 0.30

remarks Cys2   

assign (resid    2 and  name HN   )(resid    1 and  name HA   ) 2.00 0.20 0.50
assign (resid    2 and  name HN   )(resid    1 and  name HB*  ) 2.00 0.20 2.50
assign (resid    2 and  name HN   )(resid    5 and  name HB*  ) 2.00 0.20 4.50
assign (resid    2 and  name HA   )(resid    5 and  name HB*  ) 2.00 0.20 4.50
assign (resid    2 and  name HN   )(resid    3 and  name HN   ) 2.00 0.20 1.00
assign (resid    2 and  name HA   )(resid   16 and  name HG2* ) 2.00 0.20 5.00
assign (resid    2 and  name HB1  )(resid    5 and  name HB*  ) 2.00 0.20 3.50
assign (resid    2 and  name HB1  )(resid   15 and  name HB*  ) 2.00 0.20 2.00
assign (resid    2 and  name HB2  )(resid   15 and  name HB*  ) 2.00 0.20 3.00
assign (resid    2 and  name HA   )(resid    2 and  name HB1  ) 2.00 0.20 1.00
assign (resid    2 and  name HA   )(resid    2 and  name HB2  ) 2.00 0.20 1.50

remarks Gly3 

assign (resid    3 and  name HN   )(resid    2 and  name HA   ) 2.00 0.20 1.50
assign (resid    3 and  name HN   )(resid    2 and  name HB1  ) 2.00 0.20 2.00
assign (resid    3 and  name HN   )(resid    2 and  name HB2  ) 2.00 0.20 1.50 

remarks Ser4 

assign (resid    4 and  name HN   )(resid    3 and  name HA*  ) 2.00 0.20 1.50
assign (resid    4 and  name HN   )(resid    3 and  name HN   ) 2.00 0.20 1.50

remarks Cys5
 
assign (resid    5 and  name HA   )(resid    8 and  name HB*  ) 2.00 0.20 2.00
assign (resid    5 and  name HA   )(resid   20 and  name HB1  ) 2.00 0.20 2.00
assign (resid    5 and  name HA   )(resid   20 and  name HB2  ) 2.00 0.20 1.50

remarks Arg6

assign (resid    6 and  name HA   )(resid    9 and  name HB2  ) 2.00 0.20 2.50

remarks Lys7

assign (resid    7 and  name HN   )(resid    5 and  name HA   ) 2.00 0.20 2.50
assign (resid    7 and  name HN   )(resid    4 and  name HB*  ) 2.00 0.20 3.00
assign (resid    7 and  name HN   )(resid    6 and  name HN   ) 2.00 0.20 1.00
assign (resid    7 and  name HN   )(resid    8 and  name HN   ) 2.00 0.20 1.00
assign (resid    7 and  name HB*  )(resid    4 and  name HB*  ) 2.00 0.20 3.50
assign (resid    7 and  name HG*  )(resid    4 and  name HB*  ) 2.00 0.20 4.50
assign (resid    7 and  name HD*  )(resid    4 and  name HB*  ) 2.00 0.20 4.00

remarks Lys8

assign (resid    8 and  name HN   )(resid    4 and  name HB*  ) 2.00 0.20 4.00
assign (resid    8 and  name HN   )(resid    5 and  name HA   ) 2.00 0.20 1.50
assign (resid    8 and  name HN   )(resid    6 and  name HN   ) 2.00 0.20 2.50

remarks Cys9

assign (resid    9 and  name HN   )(resid    8 and  name HA   ) 2.00 0.20 1.50
assign (resid    9 and  name HN   )(resid    8 and  name HB*  ) 2.00 0.20 2.50
assign (resid    9 and  name HN   )(resid   10 and  name HN   ) 2.00 0.20 1.00
assign (resid    9 and  name HN   )(resid    6 and  name HA   ) 2.00 0.20 2.00
assign (resid    9 and  name HA   )(resid    9 and  name HB1  ) 2.00 0.20 1.00
assign (resid    9 and  name HA   )(resid    9 and  name HB2  ) 2.00 0.20 1.50
assign (resid    9 and  name HA   )(resid   22 and  name HB1  ) 2.00 0.20 2.00
assign (resid    9 and  name HA   )(resid   10 and  name HB*  ) 2.00 0.20 3.50
assign (resid    9 and  name HA   )(resid   10 and  name HG*  ) 2.00 0.20 4.00
assign (resid    9 and  name HB1  )(resid   22 and  name HB1  ) 2.00 0.20 1.50

remarks Lys10 

assign (resid   10 and  name HN   )(resid    9 and  name HA   ) 2.00 0.20 1.50
assign (resid   10 and  name HN   )(resid    9 and  name HB1  ) 2.00 0.20 2.50
assign (resid   10 and  name HN   )(resid    9 and  name HB2  ) 2.00 0.20 3.00
assign (resid   10 and  name HN   )(resid    7 and  name HA   ) 2.00 0.20 1.50
assign (resid   10 and  name HN   )(resid   11 and  name HN   ) 2.00 0.20 2.00

remarks Gly11

assign (resid   11 and  name HN   )(resid   10 and  name HA   ) 2.00 0.20 1.50
assign (resid   11 and  name HN   )(resid   10 and  name HB*  ) 2.00 0.20 3.50
assign (resid   11 and  name HN   )(resid   10 and  name HG*  ) 2.00 0.20 3.50
assign (resid   11 and  name HN   )(resid    7 and  name HA   ) 2.00 0.20 2.00
assign (resid   11 and  name HN   )(resid    9 and  name HB1  ) 2.00 0.20 3.00
assign (resid   11 and  name HN   )(resid    9 and  name HB2  ) 2.00 0.20 3.00
assign (resid   11 and  name HN   )(resid   12 and  name HN   ) 2.00 0.20 2.50

remarks Ser12

assign (resid   12 and  name HN   )(resid   11 and  name HA*  ) 2.00 0.20 3.00

remarks Gly13 
 
assign (resid   13 and  name HN   )(resid   12 and  name HA   ) 2.00 0.20 0.50
assign (resid   13 and  name HN   )(resid   12 and  name HB*  ) 2.00 0.20 2.50
assign (resid   13 and  name HN   )(resid   22 and  name HA   ) 2.00 0.20 3.00
assign (resid   13 and  name HN   )(resid   23 and  name HD*  ) 2.00 0.20 5.00
assign (resid   13 and  name HN   )(resid   23 and  name HE*  ) 2.00 0.20 4.50
assign (resid   13 and  name HA*  )(resid   22 and  name HA   ) 2.00 0.20 1.50
assign (resid   13 and  name HA*  )(resid    5 and  name HB*  ) 2.00 0.20 4.00
assign (resid   13 and  name HA*  )(resid    9 and  name HB1  ) 2.00 0.20 2.50
assign (resid   13 and  name HA*  )(resid    9 and  name HB2  ) 2.00 0.20 2.00
assign (resid   13 and  name HA*  )(resid   23 and  name HA   ) 2.00 0.20 3.00

remarks Lys14

assign (resid   14 and  name HN   )(resid   13 and  name HA*  ) 2.00 0.20 1.50
assign (resid   14 and  name HN   )(resid   22 and  name HA   ) 2.00 0.20 1.50
assign (resid   14 and  name HN   )(resid    5 and  name HB*  ) 2.00 0.20 3.50
assign (resid   14 and  name HN   )(resid   21 and  name HN   ) 2.00 0.20 1.50
assign (resid   14 and  name HN   )(resid   23 and  name HN   ) 2.00 0.20 2.50
assign (resid   14 and  name HN   )(resid   20 and  name HA   ) 2.00 0.20 2.50
assign (resid   14 and  name HN   )(resid   15 and  name HN   ) 2.00 0.20 2.50
assign (resid   14 and  name HN   )(resid   13 and  name HN   ) 2.00 0.20 2.50
assign (resid   14 and  name HN   )(resid   23 and  name HD*  ) 2.00 0.20 3.50
assign (resid   14 and  name HN   )(resid   23 and  name HE*  ) 2.00 0.20 3.50
assign (resid   14 and  name HA   )(resid   16 and  name HD1* ) 2.00 0.20 5.00
assign (resid   14 and  name HE*  )(resid   16 and  name HD1* ) 2.00 0.20 4.50

remarks Cys15
  
assign (resid   15 and  name HN   )(resid   14 and  name HA   ) 2.00 0.20 0.50
assign (resid   15 and  name HN   )(resid   14 and  name HB*  ) 2.00 0.20 2.50
assign (resid   15 and  name HN   )(resid   14 and  name HG*  ) 2.00 0.20 3.50
assign (resid   15 and  name HN   )(resid   16 and  name HD1* ) 2.00 0.20 5.50
assign (resid   15 and  name HA   )(resid    2 and  name HB1  ) 2.00 0.20 2.50
assign (resid   15 and  name HA   )(resid   16 and  name HD1* ) 2.00 0.20 5.50
assign (resid   15 and  name HA   )(resid   20 and  name HA   ) 2.00 0.20 0.50

remarks Ile16

assign (resid   16 and  name HN   )(resid   15 and  name HA   ) 2.00 0.20 0.50
assign (resid   16 and  name HN   )(resid   15 and  name HB*  ) 2.00 0.20 2.50
assign (resid   16 and  name HN   )(resid   17 and  name HN   ) 2.00 0.20 2.50
assign (resid   16 and  name HN   )(resid   19 and  name HN   ) 2.00 0.20 1.50
assign (resid   16 and  name HN   )(resid   18 and  name HN   ) 2.00 0.20 2.50
assign (resid   16 and  name HN   )(resid   20 and  name HA   ) 2.00 0.20 1.50
assign (resid   16 and  name HB   )(resid   16 and  name HG1* ) 2.00 0.20 2.50
assign (resid   16 and  name HB   )(resid   16 and  name HG2* ) 2.00 0.20 3.00
assign (resid   16 and  name HG1* )(resid   16 and  name HD1* ) 2.00 0.20 4.00

remarks Asp17

assign (resid   17 and  name HN   )(resid   16 and  name HB   ) 2.00 0.20 2.50
assign (resid   17 and  name HN   )(resid   16 and  name HG1* ) 2.00 0.20 4.50
assign (resid   17 and  name HN   )(resid   16 and  name HG2* ) 2.00 0.20 4.00
assign (resid   17 and  name HN   )(resid   18 and  name HN   ) 2.00 0.20 1.50
assign (resid   17 and  name HN   )(resid   19 and  name HN   ) 2.00 0.20 2.50
assign (resid   17 and  name HD2* )(resid   16 and  name HG2* ) 2.00 0.20 5.00
assign (resid   17 and  name HB1  )(resid   16 and  name HD1* ) 2.00 0.20 3.50
assign (resid   17 and  name HB2  )(resid   16 and  name HD1* ) 2.00 0.20 3.00
assign (resid   17 and  name HA   )(resid   17 and  name HB1  ) 2.00 0.20 1.00
assign (resid   17 and  name HA   )(resid   17 and  name HB2  ) 2.00 0.20 1.50

remarks Gly18

assign (resid   18 and  name HN   )(resid   17 and  name HA   ) 2.00 0.20 1.00
assign (resid   18 and  name HN   )(resid   17 and  name HB1  ) 2.00 0.20 2.50
assign (resid   18 and  name HN   )(resid   17 and  name HB2  ) 2.00 0.20 2.50
assign (resid   18 and  name HN   )(resid   16 and  name HG2* ) 2.00 0.20 5.50
assign (resid   18 and  name HN   )(resid   19 and  name HN   ) 2.00 0.20 1.00

remarks Arg19
 
assign (resid   19 and  name HN   )(resid   18 and  name HA*  ) 2.00 0.20 2.00
assign (resid   19 and  name HN   )(resid   17 and  name HA   ) 2.00 0.20 2.50
assign (resid   19 and  name HN   )(resid   17 and  name HB1  ) 2.00 0.20 2.50
assign (resid   19 and  name HN   )(resid   17 and  name HB2  ) 2.00 0.20 3.00
assign (resid   19 and  name HN   )(resid   16 and  name HG2* ) 2.00 0.20 5.50
assign (resid   19 and  name HN   )(resid   15 and  name HA   ) 2.00 0.20 2.00
assign (resid   19 and  name HN   )(resid   20 and  name HN   ) 2.00 0.20 2.50

remarks Cys20
assign (resid   20 and  name HN   )(resid   19 and  name HA   ) 2.00 0.20 0.50
assign (resid   20 and  name HN   )(resid   19 and  name HD*  ) 2.00 0.20 4.50
assign (resid   20 and  name HN   )(resid   19 and  name HB*  ) 2.00 0.20 3.50
assign (resid   20 and  name HN   )(resid   19 and  name HG*  ) 2.00 0.20 3.50
assign (resid   20 and  name HA   )(resid   20 and  name HB1  ) 2.00 0.20 1.50
assign (resid   20 and  name HA   )(resid   20 and  name HB2  ) 2.00 0.20 1.00

remarks Lys21

assign (resid   21 and  name HN   )(resid   20 and  name HA   ) 2.00 0.20 0.50
assign (resid   21 and  name HN   )(resid   16 and  name HD1* ) 2.00 0.20 5.50
assign (resid   21 and  name HN   )(resid   16 and  name HN   ) 2.00 0.20 2.50
assign (resid   21 and  name HN   )(resid   22 and  name HN   ) 2.00 0.20 2.50
assign (resid   21 and  name HN   )(resid   20 and  name HN   ) 2.00 0.20 2.50
assign (resid   21 and  name HE*  )(resid   16 and  name HD1* ) 2.00 0.20 4.50

remarks Cys22

assign (resid   22 and  name HN   )(resid   21 and  name HA   ) 2.00 0.20 0.50
assign (resid   22 and  name HN   )(resid   21 and  name HB*  ) 2.00 0.20 3.50
assign (resid   22 and  name HN   )(resid   21 and  name HD*  ) 2.00 0.20 3.50
assign (resid   22 and  name HN   )(resid   21 and  name HG*  ) 2.00 0.20 3.50
assign (resid   22 and  name HN   )(resid   23 and  name HN   ) 2.00 0.20 2.50
assign (resid   22 and  name HA   )(resid   13 and  name HA*  ) 2.00 0.20 1.00
assign (resid   22 and  name HA   )(resid    9 and  name HB1  ) 2.00 0.20 2.00
assign (resid   22 and  name HA   )(resid   22 and  name HB1  ) 2.00 0.20 1.00
assign (resid   22 and  name HA   )(resid   22 and  name HB2  ) 2.00 0.20 1.50


remarks Tyr23

assign (resid   23 and  name HN   )(resid   22 and  name HA   ) 2.00 0.20 0.50
assign (resid   23 and  name HN   )(resid   13 and  name HA*  ) 2.00 0.20 2.00
assign (resid   23 and  name HN   )(resid   22 and  name HB1  ) 2.00 0.20 1.00
assign (resid   23 and  name HN   )(resid   22 and  name HB2  ) 2.00 0.20 1.50
assign (resid   23 and  name HN   )(resid    9 and  name HB1  ) 2.00 0.20 2.50
assign (resid   23 and  name HN   )(resid   23 and  name HD*  ) 2.00 0.20 3.50
assign (resid   23 and  name HN   )(resid   23 and  name HE*  ) 2.00 0.20 5.00
assign (resid   23 and  name HD*  )(resid   22 and  name HA   ) 2.00 0.20 3.50
assign (resid   23 and  name HE*  )(resid   22 and  name HA   ) 2.00 0.20 4.50
assign (resid   23 and  name HD*  )(resid   13 and  name HA*  ) 2.00 0.20 3.00
assign (resid   23 and  name HE*  )(resid   13 and  name HA*  ) 2.00 0.20 4.50
assign (resid   23 and  name HD*  )(resid   12 and  name HA   ) 2.00 0.20 5.00
assign (resid   23 and  name HE*  )(resid   12 and  name HA   ) 2.00 0.20 4.50
assign (resid   23 and  name HD*  )(resid   12 and  name HB*  ) 2.00 0.20 4.00
assign (resid   23 and  name HE*  )(resid   12 and  name HB*  ) 2.00 0.20 5.00
assign (resid   23 and  name HD*  )(resid   14 and  name HB*  ) 2.00 0.20 5.00
assign (resid   23 and  name HE*  )(resid   14 and  name HB*  ) 2.00 0.20 4.00
assign (resid   23 and  name HD*  )(resid   14 and  name HD*  ) 2.00 0.20 5.00
assign (resid   23 and  name HE*  )(resid   14 and  name HD*  ) 2.00 0.20 4.50
assign (resid   23 and  name HD*  )(resid   14 and  name HG*  ) 2.00 0.20 4.50
assign (resid   23 and  name HE*  )(resid   14 and  name HG*  ) 2.00 0.20 4.00
assign (resid   23 and  name HD*  )(resid   21 and  name HD*  ) 2.00 0.20 5.00
assign (resid   23 and  name HE*  )(resid   21 and  name HD*  ) 2.00 0.20 5.00
assign (resid   23 and  name HE*  )(resid   16 and  name HD1* ) 2.00 0.20 6.00
assign (resid   23 and  name HA   )(resid   23 and  name HB1  ) 2.00 0.20 1.00
assign (resid   23 and  name HA   )(resid   23 and  name HB2  ) 2.00 0.20 1.50

remarks H-bonds 

assign (resid    4 and  name  O   )(resid    8 and  name HN   ) 2.30 0.50 0.20
assign (resid    5 and  name  O   )(resid    9 and  name HN   ) 2.30 0.50 0.20
assign (resid    7 and  name  O   )(resid   10 and  name HN   ) 2.30 0.50 0.20
assign (resid   21 and  name  O   )(resid   14 and  name HN   ) 2.30 0.50 0.20
assign (resid   14 and  name  O   )(resid   21 and  name HN   ) 2.30 0.50 0.20
assign (resid   12 and  name  O   )(resid   23 and  name HN   ) 2.30 0.50 0.20
assign (resid   16 and  name  O   )(resid   19 and  name HN   ) 2.10 0.30 0.20
assign (resid   19 and  name  O   )(resid   16 and  name HN   ) 2.10 0.30 0.20
assign (resid    4 and  name  O   )(resid    8 and  name N    ) 3.00 0.50 0.30
assign (resid    5 and  name  O   )(resid    9 and  name N    ) 3.00 0.50 0.30
assign (resid   21 and  name  O   )(resid   14 and  name N    ) 3.00 0.50 0.30
assign (resid   14 and  name  O   )(resid   21 and  name N    ) 3.00 0.50 0.30
assign (resid   12 and  name  O   )(resid   23 and  name N    ) 3.00 0.50 0.30
assign (resid   16 and  name  O   )(resid   19 and  name N    ) 3.00 0.50 0.30
assign (resid   19 and  name  O   )(resid   16 and  name N    ) 3.00 0.50 0.30



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA   1          HT1       ALA   1   0.525 -12.542  -6.604
    2   2H    ALA   1          HT2       ALA   1   1.407 -13.990  -6.710
    3   3H    ALA   1          HT3       ALA   1   1.549 -13.004  -5.334
    4    HA   ALA   1           HA       ALA   1  -0.919 -14.418  -6.186
    5   1HB   ALA   1          HB1       ALA   1   0.394 -15.053  -3.611
    6   2HB   ALA   1          HB2       ALA   1   1.292 -15.550  -5.045
    7   3HB   ALA   1          HB3       ALA   1  -0.354 -16.131  -4.790
    8    H    CYS   2           HN       CYS   2  -2.475 -12.910  -5.717
    9    HA   CYS   2           HA       CYS   2  -2.574 -11.863  -2.932
   10   1HB   CYS   2          HB2       CYS   2  -3.209 -10.122  -5.325
   11   2HB   CYS   2          HB1       CYS   2  -3.072  -9.628  -3.638
   12    H    GLY   3           HN       GLY   3  -4.417 -11.594  -5.977
   13   1HA   GLY   3          HA2       GLY   3  -6.543 -12.701  -6.391
   14   2HA   GLY   3          HA1       GLY   3  -6.761 -12.863  -4.648
   15    H    SER   4           HN       SER   4  -6.098 -10.151  -6.880
   16    HA   SER   4           HA       SER   4  -7.154  -8.083  -7.156
   17   1HB   SER   4          HB2       SER   4  -9.203  -9.857  -7.024
   18   2HB   SER   4          HB1       SER   4  -9.575  -8.862  -5.618
   19    HG   SER   4           HG       SER   4  -9.649  -8.262  -8.309
   20    H    CYS   5           HN       CYS   5  -5.567  -8.759  -4.732
   21    HA   CYS   5           HA       CYS   5  -6.649  -7.642  -2.355
   22   1HB   CYS   5          HB2       CYS   5  -4.504  -8.891  -2.425
   23   2HB   CYS   5          HB1       CYS   5  -3.769  -7.561  -3.319
   24    H    ARG   6           HN       ARG   6  -5.292  -6.149  -5.226
   25    HA   ARG   6           HA       ARG   6  -4.950  -3.491  -4.165
   26   1HB   ARG   6          HB2       ARG   6  -5.024  -4.749  -6.866
   27   2HB   ARG   6          HB1       ARG   6  -5.347  -3.016  -6.786
   28   1HG   ARG   6          HG2       ARG   6  -3.055  -2.919  -6.905
   29   2HG   ARG   6          HG1       ARG   6  -3.211  -3.114  -5.158
   30   1HD   ARG   6          HD2       ARG   6  -1.645  -4.773  -5.751
   31   2HD   ARG   6          HD1       ARG   6  -3.166  -5.661  -5.656
   32    HE   ARG   6           HE       ARG   6  -3.010  -6.041  -7.976
   33   1HH1  ARG   6          HH11      ARG   6  -0.022  -5.539  -7.605
   34   2HH1  ARG   6          HH12      ARG   6   0.283  -4.392  -8.866
   35   1HH2  ARG   6          HH21      ARG   6  -3.069  -3.644  -9.356
   36   2HH2  ARG   6          HH22      ARG   6  -1.444  -3.323  -9.864
   37    H    LYS   7           HN       LYS   7  -7.616  -5.169  -5.807
   38    HA   LYS   7           HA       LYS   7  -9.352  -2.837  -5.878
   39   1HB   LYS   7          HB2       LYS   7  -9.442  -5.088  -7.280
   40   2HB   LYS   7          HB1       LYS   7 -10.427  -5.643  -5.925
   41   1HG   LYS   7          HG2       LYS   7 -11.853  -3.590  -6.214
   42   2HG   LYS   7          HG1       LYS   7 -10.941  -3.228  -7.680
   43   1HD   LYS   7          HD2       LYS   7 -11.555  -5.662  -8.382
   44   2HD   LYS   7          HD1       LYS   7 -12.804  -5.532  -7.143
   45   1HE   LYS   7          HE2       LYS   7 -13.971  -4.718  -8.973
   46   2HE   LYS   7          HE1       LYS   7 -13.285  -3.216  -8.353
   47   1HZ   LYS   7          HZ1       LYS   7 -13.010  -3.806 -10.835
   48   2HZ   LYS   7          HZ2       LYS   7 -11.771  -4.833 -10.290
   49   3HZ   LYS   7          HZ3       LYS   7 -11.689  -3.163  -9.989
   50    H    LYS   8           HN       LYS   8  -9.105  -5.728  -3.785
   51    HA   LYS   8           HA       LYS   8 -11.238  -5.126  -1.993
   52   1HB   LYS   8          HB2       LYS   8  -9.341  -7.109  -2.141
   53   2HB   LYS   8          HB1       LYS   8  -8.767  -6.194  -0.747
   54   1HG   LYS   8          HG2       LYS   8 -10.266  -7.714   0.225
   55   2HG   LYS   8          HG1       LYS   8 -11.263  -6.273   0.022
   56   1HD   LYS   8          HD2       LYS   8 -12.142  -7.165  -2.098
   57   2HD   LYS   8          HD1       LYS   8 -11.134  -8.602  -1.919
   58   1HE   LYS   8          HE2       LYS   8 -12.844  -7.967   0.414
   59   2HE   LYS   8          HE1       LYS   8 -13.711  -8.447  -1.044
   60   1HZ   LYS   8          HZ1       LYS   8 -12.723 -10.186   0.690
   61   2HZ   LYS   8          HZ2       LYS   8 -11.377 -10.046  -0.338
   62   3HZ   LYS   8          HZ3       LYS   8 -12.883 -10.528  -0.963
   63    H    CYS   9           HN       CYS   9  -7.823  -4.247  -1.960
   64    HA   CYS   9           HA       CYS   9  -8.298  -2.128   0.070
   65   1HB   CYS   9          HB2       CYS   9  -5.769  -3.352  -1.093
   66   2HB   CYS   9          HB1       CYS   9  -5.754  -1.950  -0.028
   67    H    LYS  10           HN       LYS  10  -9.541  -1.719  -2.357
   68    HA   LYS  10           HA       LYS  10  -8.705  -0.676  -4.620
   69   1HB   LYS  10          HB2       LYS  10 -10.724   0.309  -2.705
   70   2HB   LYS  10          HB1       LYS  10 -10.239   1.479  -3.930
   71   1HG   LYS  10          HG2       LYS  10 -10.538  -0.908  -5.359
   72   2HG   LYS  10          HG1       LYS  10 -11.875  -0.925  -4.210
   73   1HD   LYS  10          HD2       LYS  10 -12.686   0.229  -6.142
   74   2HD   LYS  10          HD1       LYS  10 -12.359   1.475  -4.937
   75   1HE   LYS  10          HE2       LYS  10 -10.186   1.941  -5.974
   76   2HE   LYS  10          HE1       LYS  10 -10.455   0.656  -7.150
   77   1HZ   LYS  10          HZ1       LYS  10 -11.039   3.140  -7.690
   78   2HZ   LYS  10          HZ2       LYS  10 -12.492   2.746  -6.902
   79   3HZ   LYS  10          HZ3       LYS  10 -11.997   1.868  -8.270
   80    H    GLY  11           HN       GLY  11  -6.551  -0.095  -4.628
   81   1HA   GLY  11          HA2       GLY  11  -5.502   2.250  -5.073
   82   2HA   GLY  11          HA1       GLY  11  -5.779   2.490  -3.347
   83    H    SER  12           HN       SER  12  -3.681   2.488  -2.568
   84    HA   SER  12           HA       SER  12  -1.739   0.456  -3.441
   85   1HB   SER  12          HB2       SER  12  -1.148   2.865  -2.816
   86   2HB   SER  12          HB1       SER  12  -1.443   2.405  -1.141
   87    HG   SER  12           HG       SER  12   0.756   2.152  -1.740
   88    H    GLY  13           HN       GLY  13  -1.969  -1.571  -2.631
   89   1HA   GLY  13          HA2       GLY  13  -2.620  -1.869   0.276
   90   2HA   GLY  13          HA1       GLY  13  -3.362  -2.912  -0.941
   91    H    LYS  14           HN       LYS  14  -2.315  -4.546   0.554
   92    HA   LYS  14           HA       LYS  14   0.319  -5.341  -0.560
   93   1HB   LYS  14          HB2       LYS  14   0.620  -4.063   1.640
   94   2HB   LYS  14          HB1       LYS  14  -0.197  -5.420   2.417
   95   1HG   LYS  14          HG2       LYS  14   1.506  -6.950   1.368
   96   2HG   LYS  14          HG1       LYS  14   2.372  -5.515   0.817
   97   1HD   LYS  14          HD2       LYS  14   2.149  -4.817   3.369
   98   2HD   LYS  14          HD1       LYS  14   2.013  -6.562   3.597
   99   1HE   LYS  14          HE2       LYS  14   4.145  -6.964   2.636
  100   2HE   LYS  14          HE1       LYS  14   4.225  -5.345   1.939
  101   1HZ   LYS  14          HZ1       LYS  14   4.124  -5.863   4.855
  102   2HZ   LYS  14          HZ2       LYS  14   4.463  -4.391   4.077
  103   3HZ   LYS  14          HZ3       LYS  14   5.572  -5.675   3.993
  104    H    CYS  15           HN       CYS  15   0.446  -7.529  -0.852
  105    HA   CYS  15           HA       CYS  15  -1.607  -9.288   0.438
  106   1HB   CYS  15          HB2       CYS  15  -1.612 -10.549  -1.795
  107   2HB   CYS  15          HB1       CYS  15  -2.447  -8.996  -1.785
  108    H    ILE  16           HN       ILE  16  -0.249 -10.311   1.821
  109    HA   ILE  16           HA       ILE  16   1.775 -12.130   0.678
  110    HB   ILE  16           HB       ILE  16   3.508 -11.332   2.331
  111   1HG1  ILE  16          HG12      ILE  16   2.126  -8.698   2.480
  112   2HG1  ILE  16          HG11      ILE  16   1.477  -9.979   3.504
  113   1HG2  ILE  16          HG21      ILE  16   2.634  -9.183   0.383
  114   2HG2  ILE  16          HG22      ILE  16   3.428 -10.676  -0.118
  115   3HG2  ILE  16          HG23      ILE  16   4.276  -9.534   0.926
  116   1HD1  ILE  16          HD11      ILE  16   3.511 -10.246   4.665
  117   2HD1  ILE  16          HD12      ILE  16   3.361  -8.498   4.480
  118   3HD1  ILE  16          HD13      ILE  16   4.434  -9.407   3.416
  119    H    ASN  17           HN       ASN  17   2.451 -13.752   2.257
  120    HA   ASN  17           HA       ASN  17   1.981 -15.314   3.937
  121   1HB   ASN  17          HB2       ASN  17   1.270 -12.698   5.268
  122   2HB   ASN  17          HB1       ASN  17   1.100 -14.231   6.118
  123   1HD2  ASN  17          HD21      ASN  17   3.150 -11.825   6.240
  124   2HD2  ASN  17          HD22      ASN  17   4.647 -12.623   6.293
  125    H    GLY  18           HN       GLY  18  -0.079 -14.584   1.903
  126   1HA   GLY  18          HA2       GLY  18  -2.282 -15.188   1.391
  127   2HA   GLY  18          HA1       GLY  18  -2.259 -16.174   2.856
  128    H    ARG  19           HN       ARG  19  -1.635 -12.710   2.853
  129    HA   ARG  19           HA       ARG  19  -4.340 -12.185   4.001
  130   1HB   ARG  19          HB2       ARG  19  -1.668 -11.736   5.289
  131   2HB   ARG  19          HB1       ARG  19  -2.958 -10.575   5.592
  132   1HG   ARG  19          HG2       ARG  19  -3.996 -11.986   7.009
  133   2HG   ARG  19          HG1       ARG  19  -3.975 -13.285   5.818
  134   1HD   ARG  19          HD2       ARG  19  -1.352 -13.242   6.566
  135   2HD   ARG  19          HD1       ARG  19  -2.133 -12.762   8.072
  136    HE   ARG  19           HE       ARG  19  -2.756 -15.301   6.617
  137   1HH1  ARG  19          HH11      ARG  19  -1.001 -15.399   9.030
  138   2HH1  ARG  19          HH12      ARG  19  -2.131 -15.744  10.296
  139   1HH2  ARG  19          HH21      ARG  19  -4.909 -14.872   8.411
  140   2HH2  ARG  19          HH22      ARG  19  -4.347 -15.450   9.944
  141    H    CYS  20           HN       CYS  20  -5.229 -10.440   3.041
  142    HA   CYS  20           HA       CYS  20  -3.468  -8.654   1.439
  143   1HB   CYS  20          HB2       CYS  20  -5.292  -9.585   0.157
  144   2HB   CYS  20          HB1       CYS  20  -6.463  -9.152   1.398
  145    H    LYS  21           HN       LYS  21  -2.705  -7.157   2.872
  146    HA   LYS  21           HA       LYS  21  -4.620  -5.723   4.648
  147   1HB   LYS  21          HB2       LYS  21  -2.233  -6.745   5.314
  148   2HB   LYS  21          HB1       LYS  21  -1.679  -5.188   4.699
  149   1HG   LYS  21          HG2       LYS  21  -3.551  -4.182   6.199
  150   2HG   LYS  21          HG1       LYS  21  -3.526  -5.747   7.011
  151   1HD   LYS  21          HD2       LYS  21  -1.071  -4.021   6.580
  152   2HD   LYS  21          HD1       LYS  21  -2.010  -4.046   8.072
  153   1HE   LYS  21          HE2       LYS  21  -1.524  -6.750   7.507
  154   2HE   LYS  21          HE1       LYS  21  -0.006  -5.934   7.132
  155   1HZ   LYS  21          HZ1       LYS  21   0.145  -6.377   9.385
  156   2HZ   LYS  21          HZ2       LYS  21  -1.484  -6.000   9.684
  157   3HZ   LYS  21          HZ3       LYS  21  -0.369  -4.761   9.356
  158    H    CYS  22           HN       CYS  22  -4.861  -3.461   4.429
  159    HA   CYS  22           HA       CYS  22  -3.967  -2.364   1.816
  160   1HB   CYS  22          HB2       CYS  22  -5.814  -0.928   3.713
  161   2HB   CYS  22          HB1       CYS  22  -5.732  -0.820   1.957
  162    H    TYR  23           HN       TYR  23  -3.030  -0.222   1.749
  163    HA   TYR  23           HA       TYR  23  -1.299   0.320   4.102
  164   1HB   TYR  23          HB2       TYR  23  -1.165   1.020   1.179
  165   2HB   TYR  23          HB1       TYR  23  -0.221   1.937   2.353
  166    HD1  TYR  23           HD1      TYR  23   0.140  -0.562   0.088
  167    HD2  TYR  23           HD2      TYR  23   0.747   0.108   4.287
  168    HE1  TYR  23           HE1      TYR  23   1.833  -2.372   0.131
  169    HE2  TYR  23           HE2      TYR  23   2.438  -1.706   4.331
  170    HH   TYR  23           HH       TYR  23   4.020  -2.787   2.548
  Start of MODEL    2
    1   1H    ALA   1          HT1       ALA   1   1.557  -9.343  -9.388
    2   2H    ALA   1          HT2       ALA   1  -0.096  -9.263  -9.773
    3   3H    ALA   1          HT3       ALA   1   0.955 -10.208 -10.716
    4    HA   ALA   1           HA       ALA   1  -0.350 -11.616  -9.264
    5   1HB   ALA   1          HB1       ALA   1   1.453 -12.956  -9.083
    6   2HB   ALA   1          HB2       ALA   1   2.152 -11.930  -7.832
    7   3HB   ALA   1          HB3       ALA   1   2.457 -11.579  -9.532
    8    H    CYS   2           HN       CYS   2  -1.799 -10.878  -7.765
    9    HA   CYS   2           HA       CYS   2  -0.746 -10.161  -5.076
   10   1HB   CYS   2          HB2       CYS   2  -2.765  -8.583  -6.687
   11   2HB   CYS   2          HB1       CYS   2  -2.618  -8.429  -4.936
   12    H    GLY   3           HN       GLY   3  -3.972 -10.243  -6.575
   13   1HA   GLY   3          HA2       GLY   3  -5.308 -12.393  -6.282
   14   2HA   GLY   3          HA1       GLY   3  -4.760 -12.356  -4.605
   15    H    SER   4           HN       SER   4  -6.103  -9.889  -6.825
   16    HA   SER   4           HA       SER   4  -7.741  -8.246  -6.468
   17   1HB   SER   4          HB2       SER   4  -9.885  -9.125  -5.742
   18   2HB   SER   4          HB1       SER   4  -9.091 -10.347  -6.731
   19    HG   SER   4           HG       SER   4 -10.035 -10.713  -4.378
   20    H    CYS   5           HN       CYS   5  -5.604  -8.454  -4.460
   21    HA   CYS   5           HA       CYS   5  -6.552  -8.173  -1.796
   22   1HB   CYS   5          HB2       CYS   5  -4.152  -8.487  -2.480
   23   2HB   CYS   5          HB1       CYS   5  -4.135  -6.805  -3.012
   24    H    ARG   6           HN       ARG   6  -6.600  -5.956  -4.483
   25    HA   ARG   6           HA       ARG   6  -6.784  -3.473  -3.085
   26   1HB   ARG   6          HB2       ARG   6  -7.977  -4.329  -5.738
   27   2HB   ARG   6          HB1       ARG   6  -7.918  -2.663  -5.160
   28   1HG   ARG   6          HG2       ARG   6  -5.322  -3.372  -4.814
   29   2HG   ARG   6          HG1       ARG   6  -5.734  -4.383  -6.199
   30   1HD   ARG   6          HD2       ARG   6  -6.657  -1.557  -6.291
   31   2HD   ARG   6          HD1       ARG   6  -4.924  -1.830  -6.470
   32    HE   ARG   6           HE       ARG   6  -6.782  -3.390  -8.187
   33   1HH1  ARG   6          HH21      ARG   6  -3.766  -3.214  -8.532
   34   2HH1  ARG   6          HH22      ARG   6  -3.641  -2.103  -9.854
   35   1HH2  ARG   6          HH11      ARG   6  -6.903  -0.964  -9.549
   36   2HH2  ARG   6          HH12      ARG   6  -5.419  -0.830 -10.433
   37    H    LYS   7           HN       LYS   7  -9.357  -5.649  -4.292
   38    HA   LYS   7           HA       LYS   7 -11.462  -4.078  -3.031
   39   1HB   LYS   7          HB2       LYS   7 -11.280  -6.446  -4.770
   40   2HB   LYS   7          HB1       LYS   7 -12.561  -6.578  -3.564
   41   1HG   LYS   7          HG2       LYS   7 -13.550  -5.502  -5.460
   42   2HG   LYS   7          HG1       LYS   7 -13.283  -4.233  -4.264
   43   1HD   LYS   7          HD2       LYS   7 -11.115  -3.691  -5.398
   44   2HD   LYS   7          HD1       LYS   7 -11.524  -4.862  -6.652
   45   1HE   LYS   7          HE2       LYS   7 -12.473  -3.061  -7.680
   46   2HE   LYS   7          HE1       LYS   7 -13.814  -3.378  -6.578
   47   1HZ   LYS   7          HZ1       LYS   7 -12.434  -1.914  -4.973
   48   2HZ   LYS   7          HZ2       LYS   7 -13.374  -1.175  -6.180
   49   3HZ   LYS   7          HZ3       LYS   7 -11.696  -1.346  -6.390
   50    H    LYS   8           HN       LYS   8  -9.673  -7.051  -2.222
   51    HA   LYS   8           HA       LYS   8 -11.169  -7.902   0.040
   52   1HB   LYS   8          HB2       LYS   8  -8.151  -7.942  -0.332
   53   2HB   LYS   8          HB1       LYS   8  -9.052  -8.910   0.837
   54   1HG   LYS   8          HG2       LYS   8  -9.861  -9.057  -2.040
   55   2HG   LYS   8          HG1       LYS   8  -8.398  -9.907  -1.540
   56   1HD   LYS   8          HD2       LYS   8 -10.959 -10.208   0.020
   57   2HD   LYS   8          HD1       LYS   8 -10.659 -11.186  -1.417
   58   1HE   LYS   8          HE2       LYS   8  -8.381 -11.082   0.451
   59   2HE   LYS   8          HE1       LYS   8  -9.825 -11.842   1.120
   60   1HZ   LYS   8          HZ1       LYS   8  -8.603 -13.525   0.036
   61   2HZ   LYS   8          HZ2       LYS   8  -8.373 -12.577  -1.356
   62   3HZ   LYS   8          HZ3       LYS   8  -9.918 -13.175  -0.977
   63    H    CYS   9           HN       CYS   9  -8.484  -5.617  -0.219
   64    HA   CYS   9           HA       CYS   9  -9.061  -4.517   2.484
   65   1HB   CYS   9          HB2       CYS   9  -6.767  -4.041   0.542
   66   2HB   CYS   9          HB1       CYS   9  -6.929  -3.237   2.101
   67    H    LYS  10           HN       LYS  10 -11.030  -4.134   0.570
   68    HA   LYS  10           HA       LYS  10 -11.312  -2.243  -1.254
   69   1HB   LYS  10          HB2       LYS  10 -13.481  -1.516  -0.194
   70   2HB   LYS  10          HB1       LYS  10 -13.273  -3.261  -0.335
   71   1HG   LYS  10          HG2       LYS  10 -13.169  -3.562   1.921
   72   2HG   LYS  10          HG1       LYS  10 -12.232  -2.090   2.174
   73   1HD   LYS  10          HD2       LYS  10 -14.142  -0.727   2.220
   74   2HD   LYS  10          HD1       LYS  10 -15.129  -1.922   1.377
   75   1HE   LYS  10          HE2       LYS  10 -15.305  -3.299   3.296
   76   2HE   LYS  10          HE1       LYS  10 -13.971  -2.481   4.107
   77   1HZ   LYS  10          HZ1       LYS  10 -16.455  -1.934   4.680
   78   2HZ   LYS  10          HZ2       LYS  10 -16.309  -0.888   3.349
   79   3HZ   LYS  10          HZ3       LYS  10 -15.268  -0.723   4.683
   80    H    GLY  11           HN       GLY  11  -9.721  -0.698  -1.266
   81   1HA   GLY  11          HA2       GLY  11 -10.092   1.902  -0.770
   82   2HA   GLY  11          HA1       GLY  11  -9.657   1.378   0.858
   83    H    SER  12           HN       SER  12  -7.548   0.400   1.164
   84    HA   SER  12           HA       SER  12  -5.557   0.569  -0.992
   85   1HB   SER  12          HB2       SER  12  -4.081   2.110   0.266
   86   2HB   SER  12          HB1       SER  12  -5.600   2.894  -0.162
   87    HG   SER  12           HG       SER  12  -4.542   2.496   2.252
   88    H    GLY  13           HN       GLY  13  -4.787  -1.479  -0.707
   89   1HA   GLY  13          HA2       GLY  13  -3.940  -2.272   2.053
   90   2HA   GLY  13          HA1       GLY  13  -4.673  -3.421   0.934
   91    H    LYS  14           HN       LYS  14  -2.712  -4.676   1.234
   92    HA   LYS  14           HA       LYS  14  -0.586  -3.906  -0.691
   93   1HB   LYS  14          HB2       LYS  14   0.033  -3.254   1.718
   94   2HB   LYS  14          HB1       LYS  14   0.120  -4.986   2.039
   95   1HG   LYS  14          HG2       LYS  14   1.750  -5.213   0.164
   96   2HG   LYS  14          HG1       LYS  14   1.715  -3.461  -0.040
   97   1HD   LYS  14          HD2       LYS  14   2.327  -3.348   2.468
   98   2HD   LYS  14          HD1       LYS  14   2.751  -5.052   2.306
   99   1HE   LYS  14          HE2       LYS  14   4.651  -4.585   1.164
  100   2HE   LYS  14          HE1       LYS  14   3.855  -3.371   0.161
  101   1HZ   LYS  14          HZ1       LYS  14   5.645  -2.659   1.871
  102   2HZ   LYS  14          HZ2       LYS  14   4.380  -2.794   2.996
  103   3HZ   LYS  14          HZ3       LYS  14   4.245  -1.721   1.686
  104    H    CYS  15           HN       CYS  15   0.076  -5.625  -1.882
  105    HA   CYS  15           HA       CYS  15  -0.707  -8.383  -0.993
  106   1HB   CYS  15          HB2       CYS  15  -0.835  -8.898  -3.482
  107   2HB   CYS  15          HB1       CYS  15  -2.092  -7.814  -2.889
  108    H    ILE  16           HN       ILE  16   1.284  -8.816  -0.067
  109    HA   ILE  16           HA       ILE  16   3.535  -9.204  -1.989
  110    HB   ILE  16           HB       ILE  16   5.108  -8.390  -0.180
  111   1HG1  ILE  16          HG12      ILE  16   2.848  -6.856   1.016
  112   2HG1  ILE  16          HG11      ILE  16   2.989  -8.553   1.477
  113   1HG2  ILE  16          HG21      ILE  16   4.847  -6.071  -0.770
  114   2HG2  ILE  16          HG22      ILE  16   3.130  -6.292  -1.107
  115   3HG2  ILE  16          HG23      ILE  16   4.338  -7.018  -2.167
  116   1HD1  ILE  16          HD11      ILE  16   5.276  -6.572   1.612
  117   2HD1  ILE  16          HD12      ILE  16   5.264  -8.223   2.233
  118   3HD1  ILE  16          HD13      ILE  16   4.251  -6.990   2.986
  119    H    ASN  17           HN       ASN  17   5.126 -10.774  -1.207
  120    HA   ASN  17           HA       ASN  17   5.662 -12.879  -0.325
  121   1HB   ASN  17          HB2       ASN  17   4.415 -11.385   1.952
  122   2HB   ASN  17          HB1       ASN  17   4.741 -13.104   2.161
  123   1HD2  ASN  17          HD21      ASN  17   6.454 -10.204   0.842
  124   2HD2  ASN  17          HD22      ASN  17   7.959 -10.614   1.511
  125    H    GLY  18           HN       GLY  18   3.104 -12.475  -1.807
  126   1HA   GLY  18          HA2       GLY  18   1.237 -13.750  -2.424
  127   2HA   GLY  18          HA1       GLY  18   1.977 -15.085  -1.536
  128    H    ARG  19           HN       ARG  19   1.194 -11.984  -0.076
  129    HA   ARG  19           HA       ARG  19  -1.160 -13.178   1.310
  130   1HB   ARG  19          HB2       ARG  19   1.396 -12.246   2.520
  131   2HB   ARG  19          HB1       ARG  19  -0.083 -11.753   3.341
  132   1HG   ARG  19          HG2       ARG  19  -0.411 -14.497   2.667
  133   2HG   ARG  19          HG1       ARG  19   1.208 -14.334   3.345
  134   1HD   ARG  19          HD2       ARG  19   0.048 -14.569   5.314
  135   2HD   ARG  19          HD1       ARG  19  -0.133 -12.825   5.120
  136    HE   ARG  19           HE       ARG  19  -2.393 -13.268   4.175
  137   1HH1  ARG  19          HH11      ARG  19  -2.356 -14.302   7.011
  138   2HH1  ARG  19          HH12      ARG  19  -3.072 -15.868   6.822
  139   1HH2  ARG  19          HH21      ARG  19  -2.626 -15.949   3.383
  140   2HH2  ARG  19          HH22      ARG  19  -3.224 -16.801   4.768
  141    H    CYS  20           HN       CYS  20  -2.788 -11.688   1.688
  142    HA   CYS  20           HA       CYS  20  -2.312  -8.946   0.618
  143   1HB   CYS  20          HB2       CYS  20  -4.088 -10.065  -0.559
  144   2HB   CYS  20          HB1       CYS  20  -4.835 -10.603   0.942
  145    H    LYS  21           HN       LYS  21  -1.715  -7.668   2.280
  146    HA   LYS  21           HA       LYS  21  -3.249  -7.780   4.842
  147   1HB   LYS  21          HB2       LYS  21  -0.633  -7.970   4.733
  148   2HB   LYS  21          HB1       LYS  21  -0.695  -6.230   4.449
  149   1HG   LYS  21          HG2       LYS  21  -2.258  -6.170   6.526
  150   2HG   LYS  21          HG1       LYS  21  -1.609  -7.774   6.870
  151   1HD   LYS  21          HD2       LYS  21   0.143  -5.358   6.360
  152   2HD   LYS  21          HD1       LYS  21  -0.360  -5.862   7.974
  153   1HE   LYS  21          HE2       LYS  21   0.855  -7.919   6.173
  154   2HE   LYS  21          HE1       LYS  21   1.923  -6.731   6.920
  155   1HZ   LYS  21          HZ1       LYS  21   1.848  -8.399   8.486
  156   2HZ   LYS  21          HZ2       LYS  21   0.209  -8.750   8.207
  157   3HZ   LYS  21          HZ3       LYS  21   0.647  -7.344   9.054
  158    H    CYS  22           HN       CYS  22  -4.257  -5.845   5.549
  159    HA   CYS  22           HA       CYS  22  -4.593  -3.786   3.436
  160   1HB   CYS  22          HB2       CYS  22  -6.123  -4.036   6.035
  161   2HB   CYS  22          HB1       CYS  22  -6.575  -3.100   4.614
  162    H    TYR  23           HN       TYR  23  -4.557  -1.523   4.059
  163    HA   TYR  23           HA       TYR  23  -2.398  -0.947   6.018
  164   1HB   TYR  23          HB2       TYR  23  -3.593   0.535   3.688
  165   2HB   TYR  23          HB1       TYR  23  -2.699   1.419   4.923
  166    HD1  TYR  23           HD1      TYR  23  -2.360  -0.126   1.837
  167    HD2  TYR  23           HD2      TYR  23  -0.423   0.091   5.664
  168    HE1  TYR  23           HE1      TYR  23  -0.221  -0.823   0.793
  169    HE2  TYR  23           HE2      TYR  23   1.717  -0.605   4.620
  170    HH   TYR  23           HH       TYR  23   2.300  -0.500   1.380
  Start of MODEL    3
    1   1H    ALA   1          HT1       ALA   1  -0.908  -5.965 -10.307
    2   2H    ALA   1          HT2       ALA   1  -0.475  -6.837 -11.699
    3   3H    ALA   1          HT3       ALA   1   0.343  -7.108 -10.235
    4    HA   ALA   1           HA       ALA   1  -2.508  -7.727 -10.790
    5   1HB   ALA   1          HB1       ALA   1   0.018  -9.357 -10.625
    6   2HB   ALA   1          HB2       ALA   1  -1.262  -9.420 -11.836
    7   3HB   ALA   1          HB3       ALA   1  -1.537 -10.086 -10.227
    8    H    CYS   2           HN       CYS   2  -3.723  -8.241  -8.995
    9    HA   CYS   2           HA       CYS   2  -2.420  -8.541  -6.352
   10   1HB   CYS   2          HB2       CYS   2  -4.508  -6.422  -6.948
   11   2HB   CYS   2          HB1       CYS   2  -3.907  -6.832  -5.341
   12    H    GLY   3           HN       GLY   3  -5.678  -7.998  -7.710
   13   1HA   GLY   3          HA2       GLY   3  -7.256  -9.897  -7.962
   14   2HA   GLY   3          HA1       GLY   3  -6.541 -10.600  -6.511
   15    H    SER   4           HN       SER   4  -7.668  -7.281  -7.208
   16    HA   SER   4           HA       SER   4  -9.192  -5.904  -6.082
   17   1HB   SER   4          HB2       SER   4 -10.493  -8.447  -5.084
   18   2HB   SER   4          HB1       SER   4 -11.255  -6.893  -5.410
   19    HG   SER   4           HG       SER   4 -11.571  -7.621  -7.348
   20    H    CYS   5           HN       CYS   5  -6.739  -6.793  -4.771
   21    HA   CYS   5           HA       CYS   5  -7.046  -7.534  -2.054
   22   1HB   CYS   5          HB2       CYS   5  -4.868  -7.407  -3.287
   23   2HB   CYS   5          HB1       CYS   5  -4.965  -5.649  -3.203
   24    H    ARG   6           HN       ARG   6  -7.478  -4.439  -3.651
   25    HA   ARG   6           HA       ARG   6  -7.379  -2.684  -1.424
   26   1HB   ARG   6          HB2       ARG   6  -9.056  -2.555  -3.946
   27   2HB   ARG   6          HB1       ARG   6  -8.895  -1.224  -2.800
   28   1HG   ARG   6          HG2       ARG   6  -6.277  -1.830  -3.196
   29   2HG   ARG   6          HG1       ARG   6  -6.939  -2.274  -4.767
   30   1HD   ARG   6          HD2       ARG   6  -8.092   0.235  -3.941
   31   2HD   ARG   6          HD1       ARG   6  -6.335   0.334  -3.822
   32    HE   ARG   6           HE       ARG   6  -6.861  -0.866  -6.303
   33   1HH1  ARG   6          HH11      ARG   6  -5.672   1.949  -5.468
   34   2HH1  ARG   6          HH12      ARG   6  -6.587   2.958  -6.537
   35   1HH2  ARG   6          HH21      ARG   6  -8.871   0.483  -7.352
   36   2HH2  ARG   6          HH22      ARG   6  -8.394   2.129  -7.604
   37    H    LYS   7           HN       LYS   7 -10.170  -4.443  -2.807
   38    HA   LYS   7           HA       LYS   7 -11.985  -3.508  -0.723
   39   1HB   LYS   7          HB2       LYS   7 -12.356  -5.799  -2.682
   40   2HB   LYS   7          HB1       LYS   7 -13.627  -4.962  -1.788
   41   1HG   LYS   7          HG2       LYS   7 -12.620  -2.819  -2.948
   42   2HG   LYS   7          HG1       LYS   7 -11.986  -3.988  -4.105
   43   1HD   LYS   7          HD2       LYS   7 -14.497  -4.899  -3.984
   44   2HD   LYS   7          HD1       LYS   7 -14.813  -3.219  -3.545
   45   1HE   LYS   7          HE2       LYS   7 -14.932  -3.068  -5.857
   46   2HE   LYS   7          HE1       LYS   7 -13.220  -2.726  -5.605
   47   1HZ   LYS   7          HZ1       LYS   7 -12.795  -5.126  -5.921
   48   2HZ   LYS   7          HZ2       LYS   7 -13.426  -4.366  -7.304
   49   3HZ   LYS   7          HZ3       LYS   7 -14.427  -5.336  -6.333
   50    H    LYS   8           HN       LYS   8 -10.270  -6.575  -1.404
   51    HA   LYS   8           HA       LYS   8 -11.325  -8.132   0.726
   52   1HB   LYS   8          HB2       LYS   8  -9.419  -8.555  -1.185
   53   2HB   LYS   8          HB1       LYS   8  -8.406  -8.387   0.249
   54   1HG   LYS   8          HG2       LYS   8 -10.820 -10.077   0.586
   55   2HG   LYS   8          HG1       LYS   8  -9.583 -10.726  -0.491
   56   1HD   LYS   8          HD2       LYS   8  -7.898 -10.187   1.361
   57   2HD   LYS   8          HD1       LYS   8  -9.292  -9.946   2.415
   58   1HE   LYS   8          HE2       LYS   8  -8.703 -12.222   2.730
   59   2HE   LYS   8          HE1       LYS   8 -10.070 -12.271   1.615
   60   1HZ   LYS   8          HZ1       LYS   8  -7.271 -12.184   0.664
   61   2HZ   LYS   8          HZ2       LYS   8  -8.665 -12.626  -0.201
   62   3HZ   LYS   8          HZ3       LYS   8  -8.053 -13.648   1.011
   63    H    CYS   9           HN       CYS   9  -8.562  -5.934   0.616
   64    HA   CYS   9           HA       CYS   9  -8.413  -5.859   3.585
   65   1HB   CYS   9          HB2       CYS   9  -6.551  -5.054   1.350
   66   2HB   CYS   9          HB1       CYS   9  -6.360  -4.341   2.951
   67    H    LYS  10           HN       LYS  10 -10.715  -4.799   2.496
   68    HA   LYS  10           HA       LYS  10 -11.261  -2.408   1.543
   69   1HB   LYS  10          HB2       LYS  10 -12.962  -2.010   3.352
   70   2HB   LYS  10          HB1       LYS  10 -12.999  -3.629   2.658
   71   1HG   LYS  10          HG2       LYS  10 -11.315  -4.162   4.639
   72   2HG   LYS  10          HG1       LYS  10 -12.076  -2.750   5.369
   73   1HD   LYS  10          HD2       LYS  10 -14.217  -3.747   5.354
   74   2HD   LYS  10          HD1       LYS  10 -13.735  -4.965   4.174
   75   1HE   LYS  10          HE2       LYS  10 -12.481  -6.182   5.764
   76   2HE   LYS  10          HE1       LYS  10 -12.428  -4.825   6.889
   77   1HZ   LYS  10          HZ1       LYS  10 -14.582  -5.167   7.550
   78   2HZ   LYS  10          HZ2       LYS  10 -14.080  -6.767   7.276
   79   3HZ   LYS  10          HZ3       LYS  10 -15.027  -5.960   6.118
   80    H    GLY  11           HN       GLY  11  -9.547  -1.004   1.521
   81   1HA   GLY  11          HA2       GLY  11  -9.296   1.321   2.659
   82   2HA   GLY  11          HA1       GLY  11  -8.815   0.376   4.071
   83    H    SER  12           HN       SER  12  -6.656   1.149   4.105
   84    HA   SER  12           HA       SER  12  -4.943   1.013   1.746
   85   1HB   SER  12          HB2       SER  12  -4.734   2.521   3.903
   86   2HB   SER  12          HB1       SER  12  -3.866   1.132   4.549
   87    HG   SER  12           HG       SER  12  -3.292   2.619   2.199
   88    H    GLY  13           HN       GLY  13  -4.371  -0.945   0.955
   89   1HA   GLY  13          HA2       GLY  13  -3.503  -3.064   2.881
   90   2HA   GLY  13          HA1       GLY  13  -4.533  -3.459   1.504
   91    H    LYS  14           HN       LYS  14  -2.490  -4.918   1.275
   92    HA   LYS  14           HA       LYS  14  -0.712  -3.638  -0.733
   93   1HB   LYS  14          HB2       LYS  14   0.296  -3.839   1.702
   94   2HB   LYS  14          HB1       LYS  14   0.501  -5.532   1.254
   95   1HG   LYS  14          HG2       LYS  14   1.567  -4.580  -0.928
   96   2HG   LYS  14          HG1       LYS  14   1.738  -3.090   0.001
   97   1HD   LYS  14          HD2       LYS  14   2.787  -4.623   1.827
   98   2HD   LYS  14          HD1       LYS  14   2.990  -5.782   0.513
   99   1HE   LYS  14          HE2       LYS  14   4.595  -4.525  -0.529
  100   2HE   LYS  14          HE1       LYS  14   3.853  -2.997  -0.056
  101   1HZ   LYS  14          HZ1       LYS  14   5.642  -4.746   1.499
  102   2HZ   LYS  14          HZ2       LYS  14   4.582  -3.683   2.295
  103   3HZ   LYS  14          HZ3       LYS  14   5.756  -3.076   1.226
  104    H    CYS  15           HN       CYS  15  -0.235  -5.001  -2.425
  105    HA   CYS  15           HA       CYS  15  -1.002  -7.884  -2.183
  106   1HB   CYS  15          HB2       CYS  15  -1.798  -7.688  -4.593
  107   2HB   CYS  15          HB1       CYS  15  -2.809  -6.867  -3.404
  108    H    ILE  16           HN       ILE  16   1.106  -8.566  -2.021
  109    HA   ILE  16           HA       ILE  16   2.695  -8.461  -4.518
  110    HB   ILE  16           HB       ILE  16   4.792  -8.098  -2.984
  111   1HG1  ILE  16          HG12      ILE  16   4.283  -6.470  -1.135
  112   2HG1  ILE  16          HG11      ILE  16   2.570  -6.831  -1.349
  113   1HG2  ILE  16          HG21      ILE  16   4.536  -5.608  -3.304
  114   2HG2  ILE  16          HG22      ILE  16   2.878  -5.909  -3.824
  115   3HG2  ILE  16          HG23      ILE  16   4.225  -6.567  -4.751
  116   1HD1  ILE  16          HD11      ILE  16   4.146  -8.172   0.391
  117   2HD1  ILE  16          HD12      ILE  16   4.370  -9.174  -1.044
  118   3HD1  ILE  16          HD13      ILE  16   2.751  -8.906  -0.399
  119    H    ASN  17           HN       ASN  17   4.478 -10.081  -4.468
  120    HA   ASN  17           HA       ASN  17   5.186 -12.293  -4.159
  121   1HB   ASN  17          HB2       ASN  17   4.375 -11.438  -1.389
  122   2HB   ASN  17          HB1       ASN  17   4.875 -13.104  -1.686
  123   1HD2  ASN  17          HD21      ASN  17   6.160 -10.363  -0.519
  124   2HD2  ASN  17          HD22      ASN  17   7.746 -10.472  -1.114
  125    H    GLY  18           HN       GLY  18   2.369 -11.659  -4.954
  126   1HA   GLY  18          HA2       GLY  18   0.407 -12.846  -5.439
  127   2HA   GLY  18          HA1       GLY  18   1.298 -14.311  -5.014
  128    H    ARG  19           HN       ARG  19   0.843 -11.578  -2.840
  129    HA   ARG  19           HA       ARG  19  -1.182 -13.094  -1.267
  130   1HB   ARG  19          HB2       ARG  19   1.613 -12.579  -0.505
  131   2HB   ARG  19          HB1       ARG  19   0.455 -12.010   0.697
  132   1HG   ARG  19          HG2       ARG  19  -0.331 -14.627  -0.283
  133   2HG   ARG  19          HG1       ARG  19   1.332 -14.668   0.300
  134   1HD   ARG  19          HD2       ARG  19   0.096 -15.094   2.250
  135   2HD   ARG  19          HD1       ARG  19   0.392 -13.359   2.355
  136    HE   ARG  19           HE       ARG  19  -2.025 -13.525   1.018
  137   1HH1  ARG  19          HH21      ARG  19  -0.951 -13.319   4.136
  138   2HH1  ARG  19          HH22      ARG  19  -2.358 -14.000   4.882
  139   1HH2  ARG  19          HH11      ARG  19  -3.769 -15.036   1.890
  140   2HH2  ARG  19          HH12      ARG  19  -3.951 -14.973   3.611
  141    H    CYS  20           HN       CYS  20  -2.671 -11.761  -0.302
  142    HA   CYS  20           HA       CYS  20  -2.285  -8.820  -0.668
  143   1HB   CYS  20          HB2       CYS  20  -4.192  -9.527  -1.930
  144   2HB   CYS  20          HB1       CYS  20  -4.760 -10.573  -0.635
  145    H    LYS  21           HN       LYS  21  -1.488  -8.086   1.252
  146    HA   LYS  21           HA       LYS  21  -2.799  -8.978   3.787
  147   1HB   LYS  21          HB2       LYS  21  -0.120  -8.967   3.199
  148   2HB   LYS  21          HB1       LYS  21  -0.307  -7.386   3.956
  149   1HG   LYS  21          HG2       LYS  21  -1.804  -9.229   5.531
  150   2HG   LYS  21          HG1       LYS  21  -0.246  -9.986   5.204
  151   1HD   LYS  21          HD2       LYS  21  -0.398  -7.116   6.109
  152   2HD   LYS  21          HD1       LYS  21  -0.440  -8.435   7.279
  153   1HE   LYS  21          HE2       LYS  21   1.679  -8.558   5.192
  154   2HE   LYS  21          HE1       LYS  21   1.868  -7.336   6.449
  155   1HZ   LYS  21          HZ1       LYS  21   1.814 -10.260   6.692
  156   2HZ   LYS  21          HZ2       LYS  21   1.271  -9.320   7.999
  157   3HZ   LYS  21          HZ3       LYS  21   2.857  -9.138   7.418
  158    H    CYS  22           HN       CYS  22  -3.414  -7.305   5.287
  159    HA   CYS  22           HA       CYS  22  -4.023  -4.722   3.952
  160   1HB   CYS  22          HB2       CYS  22  -5.035  -5.523   6.675
  161   2HB   CYS  22          HB1       CYS  22  -5.771  -4.436   5.504
  162    H    TYR  23           HN       TYR  23  -3.613  -2.726   5.097
  163    HA   TYR  23           HA       TYR  23  -1.145  -2.850   6.755
  164   1HB   TYR  23          HB2       TYR  23  -2.462  -0.713   5.091
  165   2HB   TYR  23          HB1       TYR  23  -1.293  -0.272   6.333
  166    HD1  TYR  23           HD1      TYR  23  -1.495  -0.691   2.975
  167    HD2  TYR  23           HD2      TYR  23   0.767  -2.222   6.291
  168    HE1  TYR  23           HE1      TYR  23   0.363  -1.270   1.439
  169    HE2  TYR  23           HE2      TYR  23   2.626  -2.799   4.753
  170    HH   TYR  23           HH       TYR  23   3.220  -1.622   2.069
  Start of MODEL    4
    1   1H    ALA   1          HT1       ALA   1  -0.302 -13.936  -7.085
    2   2H    ALA   1          HT2       ALA   1  -0.621 -14.889  -8.455
    3   3H    ALA   1          HT3       ALA   1  -0.544 -15.606  -6.917
    4    HA   ALA   1           HA       ALA   1  -2.651 -13.872  -8.044
    5   1HB   ALA   1          HB1       ALA   1  -3.485 -15.969  -8.315
    6   2HB   ALA   1          HB2       ALA   1  -3.800 -15.900  -6.581
    7   3HB   ALA   1          HB3       ALA   1  -2.332 -16.673  -7.181
    8    H    CYS   2           HN       CYS   2  -3.296 -12.246  -6.750
    9    HA   CYS   2           HA       CYS   2  -2.676 -12.295  -3.852
   10   1HB   CYS   2          HB2       CYS   2  -3.743 -10.145  -5.699
   11   2HB   CYS   2          HB1       CYS   2  -3.553  -9.923  -3.959
   12    H    GLY   3           HN       GLY   3  -5.510 -11.358  -5.811
   13   1HA   GLY   3          HA2       GLY   3  -7.637 -12.680  -5.425
   14   2HA   GLY   3          HA1       GLY   3  -7.275 -12.547  -3.705
   15    H    SER   4           HN       SER   4  -7.082 -10.103  -6.303
   16    HA   SER   4           HA       SER   4  -8.037  -7.968  -6.476
   17   1HB   SER   4          HB2       SER   4 -10.182  -9.584  -5.119
   18   2HB   SER   4          HB1       SER   4 -10.404  -7.851  -5.343
   19    HG   SER   4           HG       SER   4 -10.383  -9.910  -7.181
   20    H    CYS   5           HN       CYS   5  -6.245  -8.620  -4.241
   21    HA   CYS   5           HA       CYS   5  -7.090  -7.477  -1.762
   22   1HB   CYS   5          HB2       CYS   5  -5.048  -8.868  -2.046
   23   2HB   CYS   5          HB1       CYS   5  -4.300  -7.556  -2.955
   24    H    ARG   6           HN       ARG   6  -5.929  -6.040  -4.744
   25    HA   ARG   6           HA       ARG   6  -5.161  -3.469  -3.796
   26   1HB   ARG   6          HB2       ARG   6  -6.456  -4.101  -6.463
   27   2HB   ARG   6          HB1       ARG   6  -5.413  -2.728  -6.091
   28   1HG   ARG   6          HG2       ARG   6  -3.703  -4.594  -5.366
   29   2HG   ARG   6          HG1       ARG   6  -4.686  -5.622  -6.408
   30   1HD   ARG   6          HD2       ARG   6  -4.423  -3.588  -8.093
   31   2HD   ARG   6          HD1       ARG   6  -2.981  -3.270  -7.129
   32    HE   ARG   6           HE       ARG   6  -3.379  -5.545  -8.933
   33   1HH1  ARG   6          HH11      ARG   6  -0.889  -3.780  -8.224
   34   2HH1  ARG   6          HH12      ARG   6   0.132  -4.991  -7.524
   35   1HH2  ARG   6          HH21      ARG   6  -2.414  -7.315  -7.166
   36   2HH2  ARG   6          HH22      ARG   6  -0.731  -6.989  -6.922
   37    H    LYS   7           HN       LYS   7  -8.341  -4.624  -4.970
   38    HA   LYS   7           HA       LYS   7  -9.624  -2.054  -4.415
   39   1HB   LYS   7          HB2       LYS   7 -10.725  -4.784  -5.159
   40   2HB   LYS   7          HB1       LYS   7 -11.742  -3.365  -4.911
   41   1HG   LYS   7          HG2       LYS   7 -11.369  -3.306  -7.222
   42   2HG   LYS   7          HG1       LYS   7 -10.120  -2.219  -6.613
   43   1HD   LYS   7          HD2       LYS   7  -8.414  -3.702  -7.057
   44   2HD   LYS   7          HD1       LYS   7  -9.436  -5.116  -6.803
   45   1HE   LYS   7          HE2       LYS   7  -9.564  -5.289  -9.050
   46   2HE   LYS   7          HE1       LYS   7 -10.574  -3.845  -9.021
   47   1HZ   LYS   7          HZ1       LYS   7  -8.166  -2.739  -8.877
   48   2HZ   LYS   7          HZ2       LYS   7  -8.945  -3.072 -10.350
   49   3HZ   LYS   7          HZ3       LYS   7  -7.772  -4.141  -9.747
   50    H    LYS   8           HN       LYS   8  -9.471  -5.233  -2.796
   51    HA   LYS   8           HA       LYS   8 -11.369  -4.812  -0.739
   52   1HB   LYS   8          HB2       LYS   8  -8.743  -6.306  -0.810
   53   2HB   LYS   8          HB1       LYS   8  -9.716  -6.247   0.660
   54   1HG   LYS   8          HG2       LYS   8 -11.683  -7.016  -0.815
   55   2HG   LYS   8          HG1       LYS   8 -10.462  -7.414  -2.024
   56   1HD   LYS   8          HD2       LYS   8 -10.386  -8.440   0.825
   57   2HD   LYS   8          HD1       LYS   8 -11.096  -9.340  -0.516
   58   1HE   LYS   8          HE2       LYS   8  -8.744  -8.786  -1.648
   59   2HE   LYS   8          HE1       LYS   8  -8.232  -8.708   0.036
   60   1HZ   LYS   8          HZ1       LYS   8  -8.198 -10.959  -1.207
   61   2HZ   LYS   8          HZ2       LYS   8  -9.866 -10.971  -0.883
   62   3HZ   LYS   8          HZ3       LYS   8  -8.750 -10.900   0.396
   63    H    CYS   9           HN       CYS   9  -7.986  -3.839  -0.976
   64    HA   CYS   9           HA       CYS   9  -8.240  -2.115   1.433
   65   1HB   CYS   9          HB2       CYS   9  -5.809  -2.821  -0.257
   66   2HB   CYS   9          HB1       CYS   9  -5.780  -1.838   1.204
   67    H    LYS  10           HN       LYS  10  -9.780  -1.396  -0.780
   68    HA   LYS  10           HA       LYS  10  -9.210   0.120  -2.864
   69   1HB   LYS  10          HB2       LYS  10 -11.186   0.400  -0.732
   70   2HB   LYS  10          HB1       LYS  10 -10.842   1.940  -1.517
   71   1HG   LYS  10          HG2       LYS  10 -11.402  -0.565  -3.109
   72   2HG   LYS  10          HG1       LYS  10 -12.697   0.497  -2.558
   73   1HD   LYS  10          HD2       LYS  10 -10.962   2.313  -3.641
   74   2HD   LYS  10          HD1       LYS  10 -10.686   0.920  -4.686
   75   1HE   LYS  10          HE2       LYS  10 -13.412   0.905  -4.529
   76   2HE   LYS  10          HE1       LYS  10 -13.082   2.634  -4.423
   77   1HZ   LYS  10          HZ1       LYS  10 -13.207   2.233  -6.687
   78   2HZ   LYS  10          HZ2       LYS  10 -12.386   0.749  -6.584
   79   3HZ   LYS  10          HZ3       LYS  10 -11.537   2.209  -6.396
   80    H    GLY  11           HN       GLY  11  -7.093   0.887  -2.864
   81   1HA   GLY  11          HA2       GLY  11  -6.444   3.491  -2.787
   82   2HA   GLY  11          HA1       GLY  11  -6.346   3.123  -1.064
   83    H    SER  12           HN       SER  12  -5.093   0.899  -0.721
   84    HA   SER  12           HA       SER  12  -3.024   0.079  -2.484
   85   1HB   SER  12          HB2       SER  12  -2.427   2.477  -0.827
   86   2HB   SER  12          HB1       SER  12  -1.187   1.226  -0.859
   87    HG   SER  12           HG       SER  12  -1.762   3.036  -2.713
   88    H    GLY  13           HN       GLY  13  -3.089  -1.973  -1.703
   89   1HA   GLY  13          HA2       GLY  13  -2.707  -2.372   1.241
   90   2HA   GLY  13          HA1       GLY  13  -3.740  -3.422   0.269
   91    H    LYS  14           HN       LYS  14  -2.238  -5.048   1.267
   92    HA   LYS  14           HA       LYS  14   0.054  -5.568  -0.565
   93   1HB   LYS  14          HB2       LYS  14   0.651  -4.607   1.823
   94   2HB   LYS  14          HB1       LYS  14   0.313  -6.257   2.345
   95   1HG   LYS  14          HG2       LYS  14   1.904  -7.067   0.568
   96   2HG   LYS  14          HG1       LYS  14   2.336  -5.385   0.263
   97   1HD   LYS  14          HD2       LYS  14   2.701  -5.371   2.902
   98   2HD   LYS  14          HD1       LYS  14   2.943  -7.098   2.638
   99   1HE   LYS  14          HE2       LYS  14   4.785  -6.748   1.213
  100   2HE   LYS  14          HE1       LYS  14   4.349  -5.066   0.913
  101   1HZ   LYS  14          HZ1       LYS  14   5.126  -6.070   3.589
  102   2HZ   LYS  14          HZ2       LYS  14   5.001  -4.455   3.075
  103   3HZ   LYS  14          HZ3       LYS  14   6.250  -5.443   2.484
  104    H    CYS  15           HN       CYS  15  -0.100  -7.567  -1.393
  105    HA   CYS  15           HA       CYS  15  -1.761  -9.620   0.034
  106   1HB   CYS  15          HB2       CYS  15  -2.068 -10.621  -2.282
  107   2HB   CYS  15          HB1       CYS  15  -2.859  -9.065  -2.038
  108    H    ILE  16           HN       ILE  16  -0.310 -10.859   1.069
  109    HA   ILE  16           HA       ILE  16   1.682 -12.346  -0.522
  110    HB   ILE  16           HB       ILE  16   3.491 -11.795   1.172
  111   1HG1  ILE  16          HG12      ILE  16   2.094  -9.248   1.806
  112   2HG1  ILE  16          HG11      ILE  16   1.471 -10.683   2.620
  113   1HG2  ILE  16          HG21      ILE  16   2.994 -10.675  -1.177
  114   2HG2  ILE  16          HG22      ILE  16   4.239 -10.012  -0.117
  115   3HG2  ILE  16          HG23      ILE  16   2.646  -9.258  -0.185
  116   1HD1  ILE  16          HD11      ILE  16   3.336  -9.437   3.836
  117   2HD1  ILE  16          HD12      ILE  16   4.416 -10.001   2.561
  118   3HD1  ILE  16          HD13      ILE  16   3.593 -11.166   3.601
  119    H    ASN  17           HN       ASN  17   2.421 -14.252   0.581
  120    HA   ASN  17           HA       ASN  17   2.133 -16.119   1.960
  121   1HB   ASN  17          HB2       ASN  17   1.754 -13.783   3.783
  122   2HB   ASN  17          HB1       ASN  17   1.289 -15.373   4.387
  123   1HD2  ASN  17          HD21      ASN  17   4.037 -13.443   3.242
  124   2HD2  ASN  17          HD22      ASN  17   5.237 -14.510   3.788
  125    H    GLY  18           HN       GLY  18  -0.071 -15.123   0.282
  126   1HA   GLY  18          HA2       GLY  18  -2.313 -15.651  -0.144
  127   2HA   GLY  18          HA1       GLY  18  -2.149 -16.896   1.094
  128    H    ARG  19           HN       ARG  19  -1.620 -13.455   1.669
  129    HA   ARG  19           HA       ARG  19  -4.231 -13.238   3.082
  130   1HB   ARG  19          HB2       ARG  19  -2.053 -13.867   4.545
  131   2HB   ARG  19          HB1       ARG  19  -1.864 -12.115   4.501
  132   1HG   ARG  19          HG2       ARG  19  -3.581 -11.799   5.939
  133   2HG   ARG  19          HG1       ARG  19  -4.633 -12.888   5.037
  134   1HD   ARG  19          HD2       ARG  19  -2.864 -14.651   6.187
  135   2HD   ARG  19          HD1       ARG  19  -3.000 -13.412   7.434
  136    HE   ARG  19           HE       ARG  19  -5.201 -15.136   6.460
  137   1HH1  ARG  19          HH11      ARG  19  -4.183 -14.554   9.343
  138   2HH1  ARG  19          HH12      ARG  19  -5.514 -13.628   9.950
  139   1HH2  ARG  19          HH21      ARG  19  -6.885 -13.052   6.816
  140   2HH2  ARG  19          HH22      ARG  19  -7.044 -12.775   8.519
  141    H    CYS  20           HN       CYS  20  -5.108 -11.197   2.917
  142    HA   CYS  20           HA       CYS  20  -3.494  -9.182   1.417
  143   1HB   CYS  20          HB2       CYS  20  -5.461  -9.810   0.182
  144   2HB   CYS  20          HB1       CYS  20  -6.485  -9.657   1.605
  145    H    LYS  21           HN       LYS  21  -2.533  -7.978   3.009
  146    HA   LYS  21           HA       LYS  21  -4.215  -6.860   5.205
  147   1HB   LYS  21          HB2       LYS  21  -1.781  -7.977   5.433
  148   2HB   LYS  21          HB1       LYS  21  -1.276  -6.336   5.029
  149   1HG   LYS  21          HG2       LYS  21  -3.016  -5.634   6.863
  150   2HG   LYS  21          HG1       LYS  21  -2.829  -7.299   7.416
  151   1HD   LYS  21          HD2       LYS  21  -0.379  -5.658   6.846
  152   2HD   LYS  21          HD1       LYS  21  -1.243  -5.422   8.366
  153   1HE   LYS  21          HE2       LYS  21  -0.311  -8.126   7.362
  154   2HE   LYS  21          HE1       LYS  21   0.602  -7.133   8.496
  155   1HZ   LYS  21          HZ1       LYS  21  -2.026  -8.420   8.878
  156   2HZ   LYS  21          HZ2       LYS  21  -1.547  -7.105   9.841
  157   3HZ   LYS  21          HZ3       LYS  21  -0.636  -8.539   9.842
  158    H    CYS  22           HN       CYS  22  -4.504  -4.597   5.321
  159    HA   CYS  22           HA       CYS  22  -3.839  -3.119   2.837
  160   1HB   CYS  22          HB2       CYS  22  -5.567  -2.205   5.149
  161   2HB   CYS  22          HB1       CYS  22  -5.502  -1.516   3.528
  162    H    TYR  23           HN       TYR  23  -3.083  -0.880   3.046
  163    HA   TYR  23           HA       TYR  23  -0.984  -0.649   5.136
  164   1HB   TYR  23          HB2       TYR  23  -1.474   0.776   2.511
  165   2HB   TYR  23          HB1       TYR  23  -0.257   1.320   3.665
  166    HD1  TYR  23           HD1      TYR  23   0.994  -1.022   4.706
  167    HD2  TYR  23           HD2      TYR  23  -0.475  -0.336   0.728
  168    HE1  TYR  23           HE1      TYR  23   2.587  -2.707   3.826
  169    HE2  TYR  23           HE2      TYR  23   1.118  -2.021  -0.151
  170    HH   TYR  23           HH       TYR  23   3.722  -3.166   1.584
  Start of MODEL    5
    1   1H    ALA   1          HT1       ALA   1   5.293 -11.532  -1.292
    2   2H    ALA   1          HT2       ALA   1   6.338 -12.679  -1.984
    3   3H    ALA   1          HT3       ALA   1   5.717 -12.925  -0.421
    4    HA   ALA   1           HA       ALA   1   4.377 -13.202  -3.024
    5   1HB   ALA   1          HB1       ALA   1   5.341 -15.154  -1.769
    6   2HB   ALA   1          HB2       ALA   1   3.603 -15.277  -2.038
    7   3HB   ALA   1          HB3       ALA   1   4.219 -14.802  -0.456
    8    H    CYS   2           HN       CYS   2   2.660 -11.859  -3.242
    9    HA   CYS   2           HA       CYS   2   0.774 -11.587  -0.937
   10   1HB   CYS   2          HB2       CYS   2   1.691  -9.455  -2.883
   11   2HB   CYS   2          HB1       CYS   2   0.279  -9.271  -1.843
   12    H    GLY   3           HN       GLY   3   1.033 -10.996  -4.451
   13   1HA   GLY   3          HA2       GLY   3  -0.347 -12.348  -6.013
   14   2HA   GLY   3          HA1       GLY   3  -1.624 -12.329  -4.796
   15    H    SER   4           HN       SER   4   0.422  -9.667  -6.003
   16    HA   SER   4           HA       SER   4  -0.143  -7.592  -6.937
   17   1HB   SER   4          HB2       SER   4  -2.210  -9.462  -8.057
   18   2HB   SER   4          HB1       SER   4  -2.378  -7.731  -8.342
   19    HG   SER   4           HG       SER   4  -0.970  -9.284  -9.762
   20    H    CYS   5           HN       CYS   5  -0.980  -8.243  -4.242
   21    HA   CYS   5           HA       CYS   5  -3.641  -7.465  -3.624
   22   1HB   CYS   5          HB2       CYS   5  -2.044  -8.555  -2.042
   23   2HB   CYS   5          HB1       CYS   5  -1.156  -7.036  -1.944
   24    H    ARG   6           HN       ARG   6  -0.766  -5.542  -4.297
   25    HA   ARG   6           HA       ARG   6  -1.685  -3.034  -3.274
   26   1HB   ARG   6          HB2       ARG   6   0.668  -3.757  -4.214
   27   2HB   ARG   6          HB1       ARG   6   0.012  -3.174  -5.745
   28   1HG   ARG   6          HG2       ARG   6  -0.718  -1.108  -4.226
   29   2HG   ARG   6          HG1       ARG   6   0.649  -1.652  -3.253
   30   1HD   ARG   6          HD2       ARG   6   2.194  -1.265  -4.965
   31   2HD   ARG   6          HD1       ARG   6   0.962  -1.341  -6.227
   32    HE   ARG   6           HE       ARG   6   0.909   0.922  -4.290
   33   1HH1  ARG   6          HH11      ARG   6   2.548   0.184  -7.081
   34   2HH1  ARG   6          HH12      ARG   6   1.893   1.471  -8.037
   35   1HH2  ARG   6          HH21      ARG   6  -0.496   2.359  -5.687
   36   2HH2  ARG   6          HH22      ARG   6   0.173   2.704  -7.246
   37    H    LYS   7           HN       LYS   7  -1.922  -4.466  -6.535
   38    HA   LYS   7           HA       LYS   7  -3.495  -2.250  -7.590
   39   1HB   LYS   7          HB2       LYS   7  -2.022  -4.227  -8.757
   40   2HB   LYS   7          HB1       LYS   7  -3.641  -4.905  -8.927
   41   1HG   LYS   7          HG2       LYS   7  -3.407  -2.031  -9.601
   42   2HG   LYS   7          HG1       LYS   7  -2.547  -3.127 -10.683
   43   1HD   LYS   7          HD2       LYS   7  -4.486  -4.174 -11.394
   44   2HD   LYS   7          HD1       LYS   7  -5.350  -3.825  -9.896
   45   1HE   LYS   7          HE2       LYS   7  -5.117  -1.328 -10.644
   46   2HE   LYS   7          HE1       LYS   7  -4.834  -2.013 -12.241
   47   1HZ   LYS   7          HZ1       LYS   7  -7.274  -1.619 -10.951
   48   2HZ   LYS   7          HZ2       LYS   7  -7.058  -3.298 -11.083
   49   3HZ   LYS   7          HZ3       LYS   7  -7.000  -2.318 -12.469
   50    H    LYS   8           HN       LYS   8  -4.198  -5.527  -6.377
   51    HA   LYS   8           HA       LYS   8  -6.989  -5.625  -6.914
   52   1HB   LYS   8          HB2       LYS   8  -5.223  -7.283  -5.640
   53   2HB   LYS   8          HB1       LYS   8  -6.129  -6.653  -4.263
   54   1HG   LYS   8          HG2       LYS   8  -7.521  -7.711  -6.726
   55   2HG   LYS   8          HG1       LYS   8  -7.056  -8.773  -5.395
   56   1HD   LYS   8          HD2       LYS   8  -8.317  -7.279  -3.831
   57   2HD   LYS   8          HD1       LYS   8  -8.872  -6.353  -5.225
   58   1HE   LYS   8          HE2       LYS   8 -10.633  -7.822  -5.090
   59   2HE   LYS   8          HE1       LYS   8  -9.552  -8.817  -6.066
   60   1HZ   LYS   8          HZ1       LYS   8  -8.668  -9.574  -3.774
   61   2HZ   LYS   8          HZ2       LYS   8 -10.120 -10.231  -4.363
   62   3HZ   LYS   8          HZ3       LYS   8 -10.155  -9.002  -3.191
   63    H    CYS   9           HN       CYS   9  -5.191  -4.352  -4.155
   64    HA   CYS   9           HA       CYS   9  -7.586  -2.893  -3.166
   65   1HB   CYS   9          HB2       CYS   9  -4.855  -3.450  -1.954
   66   2HB   CYS   9          HB1       CYS   9  -6.030  -2.365  -1.212
   67    H    LYS  10           HN       LYS  10  -6.598  -2.063  -5.614
   68    HA   LYS  10           HA       LYS  10  -4.689  -0.345  -6.222
   69   1HB   LYS  10          HB2       LYS  10  -6.379   1.167  -7.354
   70   2HB   LYS  10          HB1       LYS  10  -6.533  -0.549  -7.722
   71   1HG   LYS  10          HG2       LYS  10  -8.252  -0.673  -5.843
   72   2HG   LYS  10          HG1       LYS  10  -8.224   1.090  -5.821
   73   1HD   LYS  10          HD2       LYS  10  -9.884   0.874  -7.374
   74   2HD   LYS  10          HD1       LYS  10  -8.533   0.651  -8.485
   75   1HE   LYS  10          HE2       LYS  10  -9.638  -1.286  -8.996
   76   2HE   LYS  10          HE1       LYS  10  -8.803  -1.886  -7.563
   77   1HZ   LYS  10          HZ1       LYS  10 -11.279  -2.254  -7.651
   78   2HZ   LYS  10          HZ2       LYS  10 -11.457  -0.580  -7.425
   79   3HZ   LYS  10          HZ3       LYS  10 -10.688  -1.524  -6.239
   80    H    GLY  11           HN       GLY  11  -3.653   0.576  -4.492
   81   1HA   GLY  11          HA2       GLY  11  -3.569   3.146  -3.869
   82   2HA   GLY  11          HA1       GLY  11  -5.023   2.733  -2.956
   83    H    SER  12           HN       SER  12  -4.804   1.741  -0.985
   84    HA   SER  12           HA       SER  12  -2.073   0.836  -0.157
   85   1HB   SER  12          HB2       SER  12  -2.800   1.678   2.172
   86   2HB   SER  12          HB1       SER  12  -2.350   2.900   0.985
   87    HG   SER  12           HG       SER  12  -4.367   3.289   2.116
   88    H    GLY  13           HN       GLY  13  -2.270  -1.343   0.053
   89   1HA   GLY  13          HA2       GLY  13  -4.653  -2.400   1.520
   90   2HA   GLY  13          HA1       GLY  13  -4.039  -3.209   0.080
   91    H    LYS  14           HN       LYS  14  -4.006  -4.958   1.848
   92    HA   LYS  14           HA       LYS  14  -1.236  -5.146   2.914
   93   1HB   LYS  14          HB2       LYS  14  -3.099  -4.416   4.649
   94   2HB   LYS  14          HB1       LYS  14  -3.491  -6.134   4.623
   95   1HG   LYS  14          HG2       LYS  14  -0.959  -6.519   4.980
   96   2HG   LYS  14          HG1       LYS  14  -0.903  -4.816   5.439
   97   1HD   LYS  14          HD2       LYS  14  -2.916  -5.445   6.997
   98   2HD   LYS  14          HD1       LYS  14  -2.319  -7.093   6.797
   99   1HE   LYS  14          HE2       LYS  14  -0.298  -6.635   7.863
  100   2HE   LYS  14          HE1       LYS  14  -0.387  -4.909   7.508
  101   1HZ   LYS  14          HZ1       LYS  14  -2.265  -6.292   9.337
  102   2HZ   LYS  14          HZ2       LYS  14  -2.067  -4.619   9.125
  103   3HZ   LYS  14          HZ3       LYS  14  -0.844  -5.535   9.867
  104    H    CYS  15           HN       CYS  15  -0.379  -7.150   2.600
  105    HA   CYS  15           HA       CYS  15  -2.214  -9.391   1.820
  106   1HB   CYS  15          HB2       CYS  15  -0.291 -10.162   0.344
  107   2HB   CYS  15          HB1       CYS  15  -1.097  -8.690  -0.192
  108    H    ILE  16           HN       ILE  16  -2.206 -10.378   3.802
  109    HA   ILE  16           HA       ILE  16   0.293 -11.757   4.569
  110    HB   ILE  16           HB       ILE  16  -0.273 -11.171   7.042
  111   1HG1  ILE  16          HG12      ILE  16  -1.115  -8.703   7.098
  112   2HG1  ILE  16          HG11      ILE  16  -1.820  -9.059   5.526
  113   1HG2  ILE  16          HG21      ILE  16   1.781 -10.451   6.036
  114   2HG2  ILE  16          HG22      ILE  16   1.078  -9.040   6.825
  115   3HG2  ILE  16          HG23      ILE  16   0.952  -9.226   5.077
  116   1HD1  ILE  16          HD11      ILE  16  -2.287 -10.892   7.870
  117   2HD1  ILE  16          HD12      ILE  16  -3.253 -10.708   6.406
  118   3HD1  ILE  16          HD13      ILE  16  -3.276  -9.448   7.641
  119    H    ASN  17           HN       ASN  17  -0.139 -13.549   6.078
  120    HA   ASN  17           HA       ASN  17  -1.344 -15.456   6.691
  121   1HB   ASN  17          HB2       ASN  17  -3.372 -13.257   6.911
  122   2HB   ASN  17          HB1       ASN  17  -3.918 -14.929   7.040
  123   1HD2  ASN  17          HD21      ASN  17  -1.430 -12.709   8.407
  124   2HD2  ASN  17          HD22      ASN  17  -1.409 -13.438   9.939
  125    H    GLY  18           HN       GLY  18  -0.983 -14.668   3.846
  126   1HA   GLY  18          HA2       GLY  18  -1.593 -15.483   1.737
  127   2HA   GLY  18          HA1       GLY  18  -2.470 -16.753   2.592
  128    H    ARG  19           HN       ARG  19  -3.091 -13.300   2.987
  129    HA   ARG  19           HA       ARG  19  -5.522 -13.458   1.301
  130   1HB   ARG  19          HB2       ARG  19  -5.502 -13.349   4.274
  131   2HB   ARG  19          HB1       ARG  19  -6.639 -12.276   3.457
  132   1HG   ARG  19          HG2       ARG  19  -7.562 -14.178   2.203
  133   2HG   ARG  19          HG1       ARG  19  -6.408 -15.263   2.982
  134   1HD   ARG  19          HD2       ARG  19  -8.425 -13.586   4.498
  135   2HD   ARG  19          HD1       ARG  19  -8.692 -15.269   4.045
  136    HE   ARG  19           HE       ARG  19  -6.635 -14.328   5.985
  137   1HH1  ARG  19          HH21      ARG  19  -9.022 -16.059   6.712
  138   2HH1  ARG  19          HH22      ARG  19  -8.292 -17.628   6.796
  139   1HH2  ARG  19          HH11      ARG  19  -5.423 -16.676   5.099
  140   2HH2  ARG  19          HH12      ARG  19  -6.257 -17.978   5.879
  141    H    CYS  20           HN       CYS  20  -6.012 -11.509   0.395
  142    HA   CYS  20           HA       CYS  20  -4.269  -9.200   1.110
  143   1HB   CYS  20          HB2       CYS  20  -4.075  -9.811  -1.212
  144   2HB   CYS  20          HB1       CYS  20  -5.822  -9.917  -1.396
  145    H    LYS  21           HN       LYS  21  -5.208  -7.746   2.402
  146    HA   LYS  21           HA       LYS  21  -8.142  -7.212   2.133
  147   1HB   LYS  21          HB2       LYS  21  -6.585  -7.884   4.439
  148   2HB   LYS  21          HB1       LYS  21  -7.067  -6.198   4.611
  149   1HG   LYS  21          HG2       LYS  21  -9.426  -7.103   3.852
  150   2HG   LYS  21          HG1       LYS  21  -8.789  -8.648   4.415
  151   1HD   LYS  21          HD2       LYS  21  -8.655  -6.158   6.119
  152   2HD   LYS  21          HD1       LYS  21 -10.056  -7.230   6.144
  153   1HE   LYS  21          HE2       LYS  21  -7.223  -8.193   6.607
  154   2HE   LYS  21          HE1       LYS  21  -8.312  -7.728   7.913
  155   1HZ   LYS  21          HZ1       LYS  21  -8.450 -10.029   6.105
  156   2HZ   LYS  21          HZ2       LYS  21  -9.910  -9.366   6.670
  157   3HZ   LYS  21          HZ3       LYS  21  -8.753  -9.945   7.772
  158    H    CYS  22           HN       CYS  22  -8.730  -4.980   1.993
  159    HA   CYS  22           HA       CYS  22  -6.483  -3.193   1.244
  160   1HB   CYS  22          HB2       CYS  22  -9.430  -2.577   0.989
  161   2HB   CYS  22          HB1       CYS  22  -8.089  -1.845   0.114
  162    H    TYR  23           HN       TYR  23  -6.415  -1.023   2.067
  163    HA   TYR  23           HA       TYR  23  -7.277  -0.842   4.907
  164   1HB   TYR  23          HB2       TYR  23  -5.231   0.632   3.242
  165   2HB   TYR  23          HB1       TYR  23  -5.732   1.226   4.824
  166    HD1  TYR  23           HD1      TYR  23  -6.045  -1.134   6.460
  167    HD2  TYR  23           HD2      TYR  23  -3.112  -0.326   3.426
  168    HE1  TYR  23           HE1      TYR  23  -4.477  -2.718   7.553
  169    HE2  TYR  23           HE2      TYR  23  -1.547  -1.910   4.519
  170    HH   TYR  23           HH       TYR  23  -1.967  -3.049   7.642
  Start of MODEL    6
    1   1H    ALA   1          HT1       ALA   1  -0.160 -14.551  -9.202
    2   2H    ALA   1          HT2       ALA   1  -1.004 -15.387  -7.988
    3   3H    ALA   1          HT3       ALA   1   0.083 -14.150  -7.572
    4    HA   ALA   1           HA       ALA   1  -1.435 -12.665  -9.017
    5   1HB   ALA   1          HB1       ALA   1  -2.763 -15.186  -9.120
    6   2HB   ALA   1          HB2       ALA   1  -3.300 -13.652  -9.804
    7   3HB   ALA   1          HB3       ALA   1  -3.775 -14.102  -8.166
    8    H    CYS   2           HN       CYS   2  -3.170 -11.474  -7.713
    9    HA   CYS   2           HA       CYS   2  -2.345 -11.427  -4.863
   10   1HB   CYS   2          HB2       CYS   2  -3.964  -9.496  -6.551
   11   2HB   CYS   2          HB1       CYS   2  -3.620  -9.262  -4.837
   12    H    GLY   3           HN       GLY   3  -5.486 -10.780  -6.425
   13   1HA   GLY   3          HA2       GLY   3  -7.324 -12.505  -6.051
   14   2HA   GLY   3          HA1       GLY   3  -6.787 -12.530  -4.372
   15    H    SER   4           HN       SER   4  -7.331  -9.809  -6.629
   16    HA   SER   4           HA       SER   4  -8.646  -7.876  -6.420
   17   1HB   SER   4          HB2       SER   4 -10.342  -9.622  -4.609
   18   2HB   SER   4          HB1       SER   4 -10.858  -8.155  -5.437
   19    HG   SER   4           HG       SER   4 -11.180  -9.308  -7.156
   20    H    CYS   5           HN       CYS   5  -6.455  -8.477  -4.488
   21    HA   CYS   5           HA       CYS   5  -7.096  -7.738  -1.830
   22   1HB   CYS   5          HB2       CYS   5  -4.893  -8.654  -2.582
   23   2HB   CYS   5          HB1       CYS   5  -4.542  -7.099  -3.336
   24    H    ARG   6           HN       ARG   6  -6.673  -5.777  -4.713
   25    HA   ARG   6           HA       ARG   6  -6.276  -3.227  -3.505
   26   1HB   ARG   6          HB2       ARG   6  -6.376  -4.079  -6.066
   27   2HB   ARG   6          HB1       ARG   6  -7.980  -3.356  -5.941
   28   1HG   ARG   6          HG2       ARG   6  -7.105  -1.224  -5.400
   29   2HG   ARG   6          HG1       ARG   6  -5.521  -1.884  -4.998
   30   1HD   ARG   6          HD2       ARG   6  -4.823  -1.702  -7.133
   31   2HD   ARG   6          HD1       ARG   6  -6.250  -2.546  -7.736
   32    HE   ARG   6           HE       ARG   6  -6.609   0.293  -6.982
   33   1HH1  ARG   6          HH11      ARG   6  -8.514  -1.200  -8.743
   34   2HH1  ARG   6          HH12      ARG   6  -8.073  -0.633 -10.320
   35   1HH2  ARG   6          HH21      ARG   6  -5.010   0.633  -9.296
   36   2HH2  ARG   6          HH22      ARG   6  -6.085   0.401 -10.635
   37    H    LYS   7           HN       LYS   7  -9.227  -5.073  -4.175
   38    HA   LYS   7           HA       LYS   7 -10.951  -2.896  -3.187
   39   1HB   LYS   7          HB2       LYS   7 -11.514  -5.707  -4.175
   40   2HB   LYS   7          HB1       LYS   7 -12.775  -4.639  -3.554
   41   1HG   LYS   7          HG2       LYS   7 -12.270  -2.973  -5.257
   42   2HG   LYS   7          HG1       LYS   7 -10.902  -3.925  -5.829
   43   1HD   LYS   7          HD2       LYS   7 -12.317  -4.916  -7.280
   44   2HD   LYS   7          HD1       LYS   7 -13.064  -5.711  -5.894
   45   1HE   LYS   7          HE2       LYS   7 -13.882  -2.903  -6.545
   46   2HE   LYS   7          HE1       LYS   7 -14.514  -4.218  -7.537
   47   1HZ   LYS   7          HZ1       LYS   7 -15.385  -5.282  -5.600
   48   2HZ   LYS   7          HZ2       LYS   7 -15.922  -3.671  -5.601
   49   3HZ   LYS   7          HZ3       LYS   7 -14.657  -4.146  -4.573
   50    H    LYS   8           HN       LYS   8  -9.714  -6.029  -2.064
   51    HA   LYS   8           HA       LYS   8 -11.277  -6.292   0.315
   52   1HB   LYS   8          HB2       LYS   8  -9.422  -7.864  -0.768
   53   2HB   LYS   8          HB1       LYS   8  -8.355  -6.990   0.333
   54   1HG   LYS   8          HG2       LYS   8 -10.398  -7.545   2.022
   55   2HG   LYS   8          HG1       LYS   8 -10.519  -8.932   0.939
   56   1HD   LYS   8          HD2       LYS   8  -8.382  -9.708   1.475
   57   2HD   LYS   8          HD1       LYS   8  -7.834  -8.119   2.011
   58   1HE   LYS   8          HE2       LYS   8  -9.941  -9.751   3.450
   59   2HE   LYS   8          HE1       LYS   8  -8.234  -9.731   3.895
   60   1HZ   LYS   8          HZ1       LYS   8 -10.238  -7.597   4.113
   61   2HZ   LYS   8          HZ2       LYS   8  -8.611  -7.167   3.875
   62   3HZ   LYS   8          HZ3       LYS   8  -9.060  -8.087   5.230
   63    H    CYS   9           HN       CYS   9  -8.162  -4.744  -0.299
   64    HA   CYS   9           HA       CYS   9  -8.322  -3.228   2.252
   65   1HB   CYS   9          HB2       CYS   9  -6.090  -3.571   0.212
   66   2HB   CYS   9          HB1       CYS   9  -5.975  -2.537   1.635
   67    H    LYS  10           HN       LYS  10 -10.261  -2.597   0.421
   68    HA   LYS  10           HA       LYS  10 -10.274  -0.958  -1.638
   69   1HB   LYS  10          HB2       LYS  10 -12.076   0.410  -0.609
   70   2HB   LYS  10          HB1       LYS  10 -12.276  -1.318  -0.319
   71   1HG   LYS  10          HG2       LYS  10 -10.710  -0.492   1.829
   72   2HG   LYS  10          HG1       LYS  10 -11.828   0.853   1.600
   73   1HD   LYS  10          HD2       LYS  10 -13.721  -0.488   1.962
   74   2HD   LYS  10          HD1       LYS  10 -12.847  -1.980   1.613
   75   1HE   LYS  10          HE2       LYS  10 -11.547  -1.725   3.681
   76   2HE   LYS  10          HE1       LYS  10 -12.377  -0.208   4.028
   77   1HZ   LYS  10          HZ1       LYS  10 -14.479  -1.443   4.056
   78   2HZ   LYS  10          HZ2       LYS  10 -13.398  -1.994   5.245
   79   3HZ   LYS  10          HZ3       LYS  10 -13.630  -2.893   3.822
   80    H    GLY  11           HN       GLY  11  -8.337   0.075  -2.019
   81   1HA   GLY  11          HA2       GLY  11  -7.866   2.650  -2.059
   82   2HA   GLY  11          HA1       GLY  11  -7.622   2.427  -0.325
   83    H    SER  12           HN       SER  12  -5.593   1.933   0.323
   84    HA   SER  12           HA       SER  12  -3.641   0.958  -1.725
   85   1HB   SER  12          HB2       SER  12  -2.987   2.332   0.893
   86   2HB   SER  12          HB1       SER  12  -1.914   2.058  -0.477
   87    HG   SER  12           HG       SER  12  -3.239   3.463  -1.691
   88    H    GLY  13           HN       GLY  13  -3.418  -1.216  -1.499
   89   1HA   GLY  13          HA2       GLY  13  -3.069  -2.321   1.260
   90   2HA   GLY  13          HA1       GLY  13  -4.054  -3.162   0.061
   91    H    LYS  14           HN       LYS  14  -2.377  -4.863   0.684
   92    HA   LYS  14           HA       LYS  14  -0.228  -4.857  -1.358
   93   1HB   LYS  14          HB2       LYS  14   0.568  -4.069   1.021
   94   2HB   LYS  14          HB1       LYS  14   0.463  -5.786   1.411
   95   1HG   LYS  14          HG2       LYS  14   1.837  -6.151  -0.757
   96   2HG   LYS  14          HG1       LYS  14   2.209  -4.431  -0.640
   97   1HD   LYS  14          HD2       LYS  14   3.205  -4.717   1.537
   98   2HD   LYS  14          HD1       LYS  14   2.651  -6.389   1.627
   99   1HE   LYS  14          HE2       LYS  14   4.871  -6.665   0.957
  100   2HE   LYS  14          HE1       LYS  14   4.027  -6.677  -0.591
  101   1HZ   LYS  14          HZ1       LYS  14   5.942  -5.205  -0.640
  102   2HZ   LYS  14          HZ2       LYS  14   5.315  -4.310   0.660
  103   3HZ   LYS  14          HZ3       LYS  14   4.506  -4.324  -0.834
  104    H    CYS  15           HN       CYS  15  -0.189  -6.769  -2.372
  105    HA   CYS  15           HA       CYS  15  -1.420  -9.163  -1.040
  106   1HB   CYS  15          HB2       CYS  15  -1.841  -9.957  -3.422
  107   2HB   CYS  15          HB1       CYS  15  -2.797  -8.563  -2.924
  108    H    ILE  16           HN       ILE  16   0.366 -10.166  -0.238
  109    HA   ILE  16           HA       ILE  16   2.363 -11.161  -2.200
  110    HB   ILE  16           HB       ILE  16   4.192 -10.600  -0.486
  111   1HG1  ILE  16          HG12      ILE  16   2.592  -8.280   0.422
  112   2HG1  ILE  16          HG11      ILE  16   2.063  -9.827   1.080
  113   1HG2  ILE  16          HG21      ILE  16   3.561  -9.395  -2.712
  114   2HG2  ILE  16          HG22      ILE  16   4.633  -8.568  -1.580
  115   3HG2  ILE  16          HG23      ILE  16   2.925  -8.132  -1.659
  116   1HD1  ILE  16          HD11      ILE  16   3.935 -10.071   2.346
  117   2HD1  ILE  16          HD12      ILE  16   4.090  -8.326   2.131
  118   3HD1  ILE  16          HD13      ILE  16   4.989  -9.426   1.086
  119    H    ASN  17           HN       ASN  17   3.498 -13.038  -1.464
  120    HA   ASN  17           HA       ASN  17   3.620 -15.125  -0.415
  121   1HB   ASN  17          HB2       ASN  17   3.105 -13.188   1.805
  122   2HB   ASN  17          HB1       ASN  17   2.968 -14.908   2.168
  123   1HD2  ASN  17          HD21      ASN  17   5.231 -13.005   0.087
  124   2HD2  ASN  17          HD22      ASN  17   6.639 -13.653   0.779
  125    H    GLY  18           HN       GLY  18   1.123 -14.256  -1.706
  126   1HA   GLY  18          HA2       GLY  18  -1.045 -15.085  -2.030
  127   2HA   GLY  18          HA1       GLY  18  -0.587 -16.435  -0.987
  128    H    ARG  19           HN       ARG  19  -0.448 -13.061   0.004
  129    HA   ARG  19           HA       ARG  19  -2.881 -13.415   1.691
  130   1HB   ARG  19          HB2       ARG  19  -0.459 -13.782   2.814
  131   2HB   ARG  19          HB1       ARG  19  -0.558 -12.024   2.933
  132   1HG   ARG  19          HG2       ARG  19  -2.679 -12.172   4.114
  133   2HG   ARG  19          HG1       ARG  19  -2.718 -13.922   3.892
  134   1HD   ARG  19          HD2       ARG  19  -1.798 -13.894   5.994
  135   2HD   ARG  19          HD1       ARG  19  -0.308 -13.694   5.073
  136    HE   ARG  19           HE       ARG  19  -0.641 -11.191   5.443
  137   1HH1  ARG  19          HH11      ARG  19  -3.161 -12.648   7.006
  138   2HH1  ARG  19          HH12      ARG  19  -2.810 -12.019   8.581
  139   1HH2  ARG  19          HH21      ARG  19   0.303 -10.783   7.683
  140   2HH2  ARG  19          HH22      ARG  19  -0.848 -10.966   8.965
  141    H    CYS  20           HN       CYS  20  -3.979 -11.475   2.106
  142    HA   CYS  20           HA       CYS  20  -3.002  -9.119   0.547
  143   1HB   CYS  20          HB2       CYS  20  -5.070  -9.951  -0.383
  144   2HB   CYS  20          HB1       CYS  20  -5.814 -10.051   1.210
  145    H    LYS  21           HN       LYS  21  -1.933  -7.941   2.080
  146    HA   LYS  21           HA       LYS  21  -3.283  -7.358   4.673
  147   1HB   LYS  21          HB2       LYS  21  -0.861  -8.153   4.623
  148   2HB   LYS  21          HB1       LYS  21  -0.462  -6.625   3.836
  149   1HG   LYS  21          HG2       LYS  21  -1.740  -5.538   5.834
  150   2HG   LYS  21          HG1       LYS  21  -1.491  -7.095   6.625
  151   1HD   LYS  21          HD2       LYS  21   0.841  -5.758   5.297
  152   2HD   LYS  21          HD1       LYS  21   0.311  -5.178   6.876
  153   1HE   LYS  21          HE2       LYS  21   1.029  -7.055   7.950
  154   2HE   LYS  21          HE1       LYS  21   0.527  -8.119   6.637
  155   1HZ   LYS  21          HZ1       LYS  21   2.449  -7.399   5.365
  156   2HZ   LYS  21          HZ2       LYS  21   2.928  -8.063   6.854
  157   3HZ   LYS  21          HZ3       LYS  21   2.933  -6.378   6.631
  158    H    CYS  22           HN       CYS  22  -3.762  -5.182   5.209
  159    HA   CYS  22           HA       CYS  22  -3.837  -3.327   2.890
  160   1HB   CYS  22          HB2       CYS  22  -5.124  -2.933   5.598
  161   2HB   CYS  22          HB1       CYS  22  -5.511  -2.104   4.093
  162    H    TYR  23           HN       TYR  23  -3.204  -1.105   3.209
  163    HA   TYR  23           HA       TYR  23  -0.833  -0.850   4.984
  164   1HB   TYR  23          HB2       TYR  23  -1.780   0.512   2.486
  165   2HB   TYR  23          HB1       TYR  23  -0.689   1.382   3.563
  166    HD1  TYR  23           HD1      TYR  23  -0.759  -0.638   0.757
  167    HD2  TYR  23           HD2      TYR  23   1.299  -0.269   4.509
  168    HE1  TYR  23           HE1      TYR  23   1.160  -1.903  -0.172
  169    HE2  TYR  23           HE2      TYR  23   3.218  -1.538   3.581
  170    HH   TYR  23           HH       TYR  23   3.947  -1.889   0.661
  Start of MODEL    7
    1   1H    ALA   1          HT1       ALA   1   7.044  -8.688  -5.072
    2   2H    ALA   1          HT2       ALA   1   5.953  -9.875  -4.538
    3   3H    ALA   1          HT3       ALA   1   6.196  -8.466  -3.620
    4    HA   ALA   1           HA       ALA   1   5.223  -7.114  -5.349
    5   1HB   ALA   1          HB1       ALA   1   4.072  -9.257  -6.923
    6   2HB   ALA   1          HB2       ALA   1   5.831  -9.379  -6.927
    7   3HB   ALA   1          HB3       ALA   1   5.049  -7.891  -7.458
    8    H    CYS   2           HN       CYS   2   2.946  -6.727  -5.257
    9    HA   CYS   2           HA       CYS   2   1.556  -8.256  -3.156
   10   1HB   CYS   2          HB2       CYS   2   0.692  -5.805  -4.720
   11   2HB   CYS   2          HB1       CYS   2  -0.138  -6.470  -3.313
   12    H    GLY   3           HN       GLY   3   0.518  -7.024  -6.341
   13   1HA   GLY   3          HA2       GLY   3  -0.275  -8.570  -8.107
   14   2HA   GLY   3          HA1       GLY   3  -0.881  -9.623  -6.827
   15    H    SER   4           HN       SER   4  -1.196  -6.116  -7.462
   16    HA   SER   4           HA       SER   4  -3.085  -4.738  -7.575
   17   1HB   SER   4          HB2       SER   4  -3.751  -7.184  -8.982
   18   2HB   SER   4          HB1       SER   4  -5.185  -6.514  -8.211
   19    HG   SER   4           HG       SER   4  -3.510  -5.428 -10.178
   20    H    CYS   5           HN       CYS   5  -2.363  -6.088  -5.071
   21    HA   CYS   5           HA       CYS   5  -4.563  -7.122  -3.621
   22   1HB   CYS   5          HB2       CYS   5  -2.201  -7.104  -2.808
   23   2HB   CYS   5          HB1       CYS   5  -2.332  -5.366  -2.551
   24    H    ARG   6           HN       ARG   6  -3.728  -3.823  -4.468
   25    HA   ARG   6           HA       ARG   6  -5.470  -2.465  -2.630
   26   1HB   ARG   6          HB2       ARG   6  -4.038  -1.767  -5.155
   27   2HB   ARG   6          HB1       ARG   6  -5.363  -0.715  -4.654
   28   1HG   ARG   6          HG2       ARG   6  -4.083  -1.009  -2.282
   29   2HG   ARG   6          HG1       ARG   6  -2.716  -1.157  -3.386
   30   1HD   ARG   6          HD2       ARG   6  -4.657   1.045  -3.911
   31   2HD   ARG   6          HD1       ARG   6  -3.583   1.229  -2.524
   32    HE   ARG   6           HE       ARG   6  -1.939   0.439  -4.656
   33   1HH1  ARG   6          HH21      ARG   6  -1.940   3.098  -3.074
   34   2HH1  ARG   6          HH22      ARG   6  -2.066   4.233  -4.377
   35   1HH2  ARG   6          HH11      ARG   6  -3.034   1.860  -6.708
   36   2HH2  ARG   6          HH12      ARG   6  -2.685   3.533  -6.430
   37    H    LYS   7           HN       LYS   7  -5.962  -3.948  -5.787
   38    HA   LYS   7           HA       LYS   7  -8.714  -2.899  -5.997
   39   1HB   LYS   7          HB2       LYS   7  -7.152  -4.828  -7.751
   40   2HB   LYS   7          HB1       LYS   7  -8.766  -4.217  -8.118
   41   1HG   LYS   7          HG2       LYS   7  -7.741  -1.866  -7.861
   42   2HG   LYS   7          HG1       LYS   7  -6.176  -2.674  -7.962
   43   1HD   LYS   7          HD2       LYS   7  -6.575  -2.173 -10.202
   44   2HD   LYS   7          HD1       LYS   7  -7.220  -3.810 -10.093
   45   1HE   LYS   7          HE2       LYS   7  -9.302  -3.096 -10.588
   46   2HE   LYS   7          HE1       LYS   7  -9.237  -1.854  -9.339
   47   1HZ   LYS   7          HZ1       LYS   7  -9.406  -1.203 -11.838
   48   2HZ   LYS   7          HZ2       LYS   7  -7.725  -1.453 -11.824
   49   3HZ   LYS   7          HZ3       LYS   7  -8.426  -0.304 -10.786
   50    H    LYS   8           HN       LYS   8  -7.075  -6.037  -5.495
   51    HA   LYS   8           HA       LYS   8  -9.367  -7.708  -5.300
   52   1HB   LYS   8          HB2       LYS   8  -7.009  -8.536  -5.255
   53   2HB   LYS   8          HB1       LYS   8  -6.823  -7.857  -3.639
   54   1HG   LYS   8          HG2       LYS   8  -7.821  -9.646  -2.694
   55   2HG   LYS   8          HG1       LYS   8  -9.210  -9.509  -3.772
   56   1HD   LYS   8          HD2       LYS   8  -8.384 -11.046  -5.256
   57   2HD   LYS   8          HD1       LYS   8  -6.709 -10.566  -4.982
   58   1HE   LYS   8          HE2       LYS   8  -6.781 -11.687  -2.761
   59   2HE   LYS   8          HE1       LYS   8  -8.422 -12.230  -3.114
   60   1HZ   LYS   8          HZ1       LYS   8  -6.902 -13.965  -3.671
   61   2HZ   LYS   8          HZ2       LYS   8  -5.956 -12.916  -4.616
   62   3HZ   LYS   8          HZ3       LYS   8  -7.525 -13.333  -5.116
   63    H    CYS   9           HN       CYS   9  -7.682  -5.774  -2.877
   64    HA   CYS   9           HA       CYS   9  -9.952  -6.038  -0.971
   65   1HB   CYS   9          HB2       CYS   9  -7.094  -5.065  -0.711
   66   2HB   CYS   9          HB1       CYS   9  -8.297  -4.724   0.530
   67    H    LYS  10           HN       LYS  10 -10.483  -4.664  -3.317
   68    HA   LYS  10           HA       LYS  10 -10.129  -2.134  -3.970
   69   1HB   LYS  10          HB2       LYS  10 -12.596  -3.719  -3.676
   70   2HB   LYS  10          HB1       LYS  10 -12.859  -1.979  -3.770
   71   1HG   LYS  10          HG2       LYS  10 -10.872  -2.840  -5.722
   72   2HG   LYS  10          HG1       LYS  10 -12.384  -3.724  -5.924
   73   1HD   LYS  10          HD2       LYS  10 -12.660  -1.780  -7.249
   74   2HD   LYS  10          HD1       LYS  10 -13.544  -1.427  -5.764
   75   1HE   LYS  10          HE2       LYS  10 -11.072  -0.534  -5.071
   76   2HE   LYS  10          HE1       LYS  10 -11.040  -0.224  -6.806
   77   1HZ   LYS  10          HZ1       LYS  10 -12.468   1.450  -6.589
   78   2HZ   LYS  10          HZ2       LYS  10 -12.187   1.367  -4.917
   79   3HZ   LYS  10          HZ3       LYS  10 -13.521   0.564  -5.596
   80    H    GLY  11           HN       GLY  11  -9.209  -0.854  -2.420
   81   1HA   GLY  11          HA2       GLY  11 -10.274   1.254  -1.240
   82   2HA   GLY  11          HA1       GLY  11 -10.854   0.038  -0.100
   83    H    SER  12           HN       SER  12  -9.519  -0.497   1.554
   84    HA   SER  12           HA       SER  12  -6.620   0.221   1.325
   85   1HB   SER  12          HB2       SER  12  -6.667   0.577   3.785
   86   2HB   SER  12          HB1       SER  12  -7.757   1.674   2.942
   87    HG   SER  12           HG       SER  12  -9.262   0.853   4.141
   88    H    GLY  13           HN       GLY  13  -5.476  -1.630   1.129
   89   1HA   GLY  13          HA2       GLY  13  -6.191  -3.943   2.879
   90   2HA   GLY  13          HA1       GLY  13  -5.865  -4.198   1.165
   91    H    LYS  14           HN       LYS  14  -4.243  -5.649   2.424
   92    HA   LYS  14           HA       LYS  14  -1.630  -4.217   2.504
   93   1HB   LYS  14          HB2       LYS  14  -2.688  -4.782   4.841
   94   2HB   LYS  14          HB1       LYS  14  -2.209  -6.433   4.457
   95   1HG   LYS  14          HG2       LYS  14   0.104  -5.328   3.870
   96   2HG   LYS  14          HG1       LYS  14  -0.479  -4.020   4.901
   97   1HD   LYS  14          HD2       LYS  14  -1.047  -5.907   6.597
   98   2HD   LYS  14          HD1       LYS  14   0.047  -6.896   5.632
   99   1HE   LYS  14          HE2       LYS  14   1.879  -5.850   6.451
  100   2HE   LYS  14          HE1       LYS  14   1.158  -4.252   6.253
  101   1HZ   LYS  14          HZ1       LYS  14   0.175  -4.338   8.312
  102   2HZ   LYS  14          HZ2       LYS  14   1.634  -5.157   8.612
  103   3HZ   LYS  14          HZ3       LYS  14   0.195  -6.032   8.386
  104    H    CYS  15           HN       CYS  15   0.067  -5.445   1.641
  105    HA   CYS  15           HA       CYS  15  -0.563  -8.235   0.756
  106   1HB   CYS  15          HB2       CYS  15   0.700  -7.670  -1.374
  107   2HB   CYS  15          HB1       CYS  15  -0.872  -6.889  -1.209
  108    H    ILE  16           HN       ILE  16   0.804  -9.394   1.975
  109    HA   ILE  16           HA       ILE  16   3.694  -9.062   1.609
  110    HB   ILE  16           HB       ILE  16   3.801  -9.333   4.316
  111   1HG1  ILE  16          HG12      ILE  16   2.330  -7.562   5.295
  112   2HG1  ILE  16          HG11      ILE  16   1.487  -7.448   3.750
  113   1HG2  ILE  16          HG21      ILE  16   4.074  -6.676   4.163
  114   2HG2  ILE  16          HG22      ILE  16   4.043  -7.038   2.438
  115   3HG2  ILE  16          HG23      ILE  16   5.259  -7.784   3.472
  116   1HD1  ILE  16          HD11      ILE  16   0.726  -9.110   5.776
  117   2HD1  ILE  16          HD12      ILE  16   1.744 -10.191   4.825
  118   3HD1  ILE  16          HD13      ILE  16   0.357  -9.400   4.077
  119    H    ASN  17           HN       ASN  17   4.872 -10.938   2.335
  120    HA   ASN  17           HA       ASN  17   5.149 -13.249   2.568
  121   1HB   ASN  17          HB2       ASN  17   2.757 -12.683   4.306
  122   2HB   ASN  17          HB1       ASN  17   3.297 -14.344   4.058
  123   1HD2  ASN  17          HD21      ASN  17   6.019 -14.238   4.119
  124   2HD2  ASN  17          HD22      ASN  17   6.584 -13.552   5.565
  125    H    GLY  18           HN       GLY  18   3.590 -12.112   0.310
  126   1HA   GLY  18          HA2       GLY  18   2.395 -12.905  -1.544
  127   2HA   GLY  18          HA1       GLY  18   2.747 -14.530  -0.952
  128    H    ARG  19           HN       ARG  19   1.024 -12.093   0.913
  129    HA   ARG  19           HA       ARG  19  -1.559 -13.512   0.451
  130   1HB   ARG  19          HB2       ARG  19  -0.461 -14.409   2.532
  131   2HB   ARG  19          HB1       ARG  19  -0.515 -12.778   3.203
  132   1HG   ARG  19          HG2       ARG  19  -2.470 -13.878   4.025
  133   2HG   ARG  19          HG1       ARG  19  -3.026 -12.815   2.732
  134   1HD   ARG  19          HD2       ARG  19  -3.567 -14.555   1.351
  135   2HD   ARG  19          HD1       ARG  19  -2.218 -15.549   1.903
  136    HE   ARG  19           HE       ARG  19  -3.727 -15.733   4.073
  137   1HH1  ARG  19          HH21      ARG  19  -4.075 -17.308   1.300
  138   2HH1  ARG  19          HH22      ARG  19  -5.801 -17.456   1.310
  139   1HH2  ARG  19          HH11      ARG  19  -6.247 -15.172   3.882
  140   2HH2  ARG  19          HH12      ARG  19  -7.030 -16.247   2.772
  141    H    CYS  20           HN       CYS  20  -3.017 -12.011  -0.121
  142    HA   CYS  20           HA       CYS  20  -2.575  -9.181   0.677
  143   1HB   CYS  20          HB2       CYS  20  -2.790  -9.408  -1.694
  144   2HB   CYS  20          HB1       CYS  20  -4.165 -10.495  -1.541
  145    H    LYS  21           HN       LYS  21  -3.587  -8.781   2.589
  146    HA   LYS  21           HA       LYS  21  -6.343  -9.850   3.022
  147   1HB   LYS  21          HB2       LYS  21  -5.926  -9.191   5.427
  148   2HB   LYS  21          HB1       LYS  21  -4.856 -10.461   4.835
  149   1HG   LYS  21          HG2       LYS  21  -3.000  -9.088   4.828
  150   2HG   LYS  21          HG1       LYS  21  -3.949  -7.635   4.515
  151   1HD   LYS  21          HD2       LYS  21  -3.082  -7.566   6.802
  152   2HD   LYS  21          HD1       LYS  21  -4.835  -7.741   6.838
  153   1HE   LYS  21          HE2       LYS  21  -3.637 -10.360   6.737
  154   2HE   LYS  21          HE1       LYS  21  -2.900  -9.435   8.047
  155   1HZ   LYS  21          HZ1       LYS  21  -5.175  -8.851   8.778
  156   2HZ   LYS  21          HZ2       LYS  21  -4.841 -10.514   8.876
  157   3HZ   LYS  21          HZ3       LYS  21  -5.796  -9.909   7.608
  158    H    CYS  22           HN       CYS  22  -7.969  -8.337   3.731
  159    HA   CYS  22           HA       CYS  22  -7.456  -5.568   2.785
  160   1HB   CYS  22          HB2       CYS  22 -10.141  -6.677   3.598
  161   2HB   CYS  22          HB1       CYS  22  -9.796  -5.338   2.509
  162    H    TYR  23           HN       TYR  23  -8.108  -3.775   4.074
  163    HA   TYR  23           HA       TYR  23  -7.850  -4.260   6.998
  164   1HB   TYR  23          HB2       TYR  23  -7.453  -1.866   5.214
  165   2HB   TYR  23          HB1       TYR  23  -7.678  -1.654   6.949
  166    HD1  TYR  23           HD1      TYR  23  -5.221  -1.757   4.596
  167    HD2  TYR  23           HD2      TYR  23  -6.275  -3.706   8.276
  168    HE1  TYR  23           HE1      TYR  23  -2.840  -2.332   4.972
  169    HE2  TYR  23           HE2      TYR  23  -3.892  -4.283   8.651
  170    HH   TYR  23           HH       TYR  23  -1.381  -2.850   7.049
  Start of MODEL    8
    1   1H    ALA   1          HT1       ALA   1   5.981 -12.490  -3.209
    2   2H    ALA   1          HT2       ALA   1   5.327 -12.272  -1.656
    3   3H    ALA   1          HT3       ALA   1   4.942 -11.184  -2.902
    4    HA   ALA   1           HA       ALA   1   3.845 -13.003  -4.120
    5   1HB   ALA   1          HB1       ALA   1   4.162 -15.126  -3.439
    6   2HB   ALA   1          HB2       ALA   1   3.474 -14.749  -1.860
    7   3HB   ALA   1          HB3       ALA   1   5.201 -14.535  -2.143
    8    H    CYS   2           HN       CYS   2   2.106 -11.632  -4.077
    9    HA   CYS   2           HA       CYS   2   0.633 -11.284  -1.498
   10   1HB   CYS   2          HB2       CYS   2   0.670  -9.598  -4.017
   11   2HB   CYS   2          HB1       CYS   2  -0.407  -9.305  -2.651
   12    H    GLY   3           HN       GLY   3  -0.309 -11.080  -4.930
   13   1HA   GLY   3          HA2       GLY   3  -1.653 -13.019  -5.871
   14   2HA   GLY   3          HA1       GLY   3  -2.547 -12.985  -4.352
   15    H    SER   4           HN       SER   4  -1.491 -10.431  -6.625
   16    HA   SER   4           HA       SER   4  -2.685  -8.701  -7.659
   17   1HB   SER   4          HB2       SER   4  -5.059 -10.564  -7.371
   18   2HB   SER   4          HB1       SER   4  -4.872  -9.257  -8.536
   19    HG   SER   4           HG       SER   4  -4.378 -11.406  -9.339
   20    H    CYS   5           HN       CYS   5  -2.547  -8.923  -4.667
   21    HA   CYS   5           HA       CYS   5  -5.013  -8.040  -3.496
   22   1HB   CYS   5          HB2       CYS   5  -3.077  -8.954  -2.201
   23   2HB   CYS   5          HB1       CYS   5  -2.182  -7.477  -2.559
   24    H    ARG   6           HN       ARG   6  -2.451  -6.392  -5.213
   25    HA   ARG   6           HA       ARG   6  -2.930  -3.716  -4.365
   26   1HB   ARG   6          HB2       ARG   6  -1.725  -4.969  -6.814
   27   2HB   ARG   6          HB1       ARG   6  -1.998  -3.227  -6.768
   28   1HG   ARG   6          HG2       ARG   6  -0.825  -3.399  -4.416
   29   2HG   ARG   6          HG1       ARG   6  -0.173  -4.901  -5.072
   30   1HD   ARG   6          HD2       ARG   6   1.401  -3.150  -5.594
   31   2HD   ARG   6          HD1       ARG   6   0.582  -3.586  -7.094
   32    HE   ARG   6           HE       ARG   6  -0.876  -1.546  -6.691
   33   1HH1  ARG   6          HH21      ARG   6   0.996  -1.520  -4.025
   34   2HH1  ARG   6          HH22      ARG   6   1.776  -0.001  -4.313
   35   1HH2  ARG   6          HH11      ARG   6   0.647   0.259  -7.581
   36   2HH2  ARG   6          HH12      ARG   6   1.578   1.006  -6.326
   37    H    LYS   7           HN       LYS   7  -4.277  -5.541  -7.142
   38    HA   LYS   7           HA       LYS   7  -6.031  -3.303  -7.857
   39   1HB   LYS   7          HB2       LYS   7  -6.946  -4.897  -9.556
   40   2HB   LYS   7          HB1       LYS   7  -5.196  -4.720  -9.656
   41   1HG   LYS   7          HG2       LYS   7  -4.819  -6.881  -9.062
   42   2HG   LYS   7          HG1       LYS   7  -6.079  -6.861  -7.832
   43   1HD   LYS   7          HD2       LYS   7  -6.935  -8.359  -9.426
   44   2HD   LYS   7          HD1       LYS   7  -7.729  -6.842  -9.845
   45   1HE   LYS   7          HE2       LYS   7  -6.903  -7.110 -11.928
   46   2HE   LYS   7          HE1       LYS   7  -5.310  -6.764 -11.254
   47   1HZ   LYS   7          HZ1       LYS   7  -5.258  -8.850 -12.408
   48   2HZ   LYS   7          HZ2       LYS   7  -6.579  -9.435 -11.515
   49   3HZ   LYS   7          HZ3       LYS   7  -5.093  -9.144 -10.746
   50    H    LYS   8           HN       LYS   8  -6.264  -6.248  -5.957
   51    HA   LYS   8           HA       LYS   8  -9.141  -6.405  -5.811
   52   1HB   LYS   8          HB2       LYS   8  -7.323  -8.105  -4.966
   53   2HB   LYS   8          HB1       LYS   8  -7.340  -7.125  -3.499
   54   1HG   LYS   8          HG2       LYS   8  -8.993  -8.681  -2.995
   55   2HG   LYS   8          HG1       LYS   8  -9.960  -7.398  -3.723
   56   1HD   LYS   8          HD2       LYS   8  -9.308  -8.753  -5.957
   57   2HD   LYS   8          HD1       LYS   8  -9.261 -10.083  -4.800
   58   1HE   LYS   8          HE2       LYS   8 -11.591  -8.282  -4.525
   59   2HE   LYS   8          HE1       LYS   8 -11.542  -9.212  -6.023
   60   1HZ   LYS   8          HZ1       LYS   8 -12.658 -10.308  -4.073
   61   2HZ   LYS   8          HZ2       LYS   8 -11.120 -10.448  -3.366
   62   3HZ   LYS   8          HZ3       LYS   8 -11.454 -11.222  -4.841
   63    H    CYS   9           HN       CYS   9  -6.656  -4.908  -3.804
   64    HA   CYS   9           HA       CYS   9  -8.677  -3.203  -2.450
   65   1HB   CYS   9          HB2       CYS   9  -5.760  -3.820  -1.881
   66   2HB   CYS   9          HB1       CYS   9  -6.645  -2.551  -1.035
   67    H    LYS  10           HN       LYS  10  -8.373  -2.707  -5.118
   68    HA   LYS  10           HA       LYS  10  -6.630  -1.226  -6.441
   69   1HB   LYS  10          HB2       LYS  10  -8.504   0.300  -7.235
   70   2HB   LYS  10          HB1       LYS  10  -8.811  -1.431  -7.363
   71   1HG   LYS  10          HG2       LYS  10  -9.609  -0.208  -4.788
   72   2HG   LYS  10          HG1       LYS  10 -10.533   0.335  -6.189
   73   1HD   LYS  10          HD2       LYS  10 -10.375  -2.401  -6.598
   74   2HD   LYS  10          HD1       LYS  10 -10.533  -2.281  -4.846
   75   1HE   LYS  10          HE2       LYS  10 -12.347  -0.479  -6.298
   76   2HE   LYS  10          HE1       LYS  10 -12.631  -2.186  -6.638
   77   1HZ   LYS  10          HZ1       LYS  10 -12.239  -1.295  -3.863
   78   2HZ   LYS  10          HZ2       LYS  10 -13.090  -2.644  -4.448
   79   3HZ   LYS  10          HZ3       LYS  10 -13.752  -1.087  -4.601
   80    H    GLY  11           HN       GLY  11  -5.110  -0.199  -5.210
   81   1HA   GLY  11          HA2       GLY  11  -4.554   2.300  -4.942
   82   2HA   GLY  11          HA1       GLY  11  -5.923   2.332  -3.827
   83    H    SER  12           HN       SER  12  -5.320   2.231  -1.741
   84    HA   SER  12           HA       SER  12  -2.677   1.141  -0.993
   85   1HB   SER  12          HB2       SER  12  -3.703   3.319  -0.067
   86   2HB   SER  12          HB1       SER  12  -4.758   2.278   0.883
   87    HG   SER  12           HG       SER  12  -2.478   3.031   1.640
   88    H    GLY  13           HN       GLY  13  -2.603  -1.034  -0.712
   89   1HA   GLY  13          HA2       GLY  13  -4.742  -2.323   0.921
   90   2HA   GLY  13          HA1       GLY  13  -4.252  -3.065  -0.604
   91    H    LYS  14           HN       LYS  14  -3.949  -4.669   1.478
   92    HA   LYS  14           HA       LYS  14  -1.003  -4.726   1.939
   93   1HB   LYS  14          HB2       LYS  14  -2.610  -3.918   3.935
   94   2HB   LYS  14          HB1       LYS  14  -2.746  -5.662   4.162
   95   1HG   LYS  14          HG2       LYS  14  -0.142  -5.645   3.947
   96   2HG   LYS  14          HG1       LYS  14  -0.292  -3.927   4.317
   97   1HD   LYS  14          HD2       LYS  14  -1.480  -4.440   6.391
   98   2HD   LYS  14          HD1       LYS  14  -1.447  -6.162   6.010
   99   1HE   LYS  14          HE2       LYS  14   0.445  -6.145   7.285
  100   2HE   LYS  14          HE1       LYS  14   1.200  -5.564   5.802
  101   1HZ   LYS  14          HZ1       LYS  14   1.662  -4.191   7.803
  102   2HZ   LYS  14          HZ2       LYS  14   0.015  -3.780   7.853
  103   3HZ   LYS  14          HZ3       LYS  14   0.965  -3.328   6.520
  104    H    CYS  15           HN       CYS  15  -0.157  -6.676   1.512
  105    HA   CYS  15           HA       CYS  15  -1.972  -9.062   1.371
  106   1HB   CYS  15          HB2       CYS  15  -0.269  -9.928  -0.341
  107   2HB   CYS  15          HB1       CYS  15  -1.297  -8.606  -0.887
  108    H    ILE  16           HN       ILE  16  -1.544  -9.840   3.403
  109    HA   ILE  16           HA       ILE  16   1.230 -10.830   3.891
  110    HB   ILE  16           HB       ILE  16   0.960 -10.137   6.309
  111   1HG1  ILE  16          HG12      ILE  16  -1.057  -8.116   5.444
  112   2HG1  ILE  16          HG11      ILE  16  -1.639  -9.758   5.717
  113   1HG2  ILE  16          HG21      ILE  16   2.422  -8.784   5.035
  114   2HG2  ILE  16          HG22      ILE  16   1.298  -7.632   5.755
  115   3HG2  ILE  16          HG23      ILE  16   1.104  -8.118   4.071
  116   1HD1  ILE  16          HD11      ILE  16  -1.465  -7.967   7.703
  117   2HD1  ILE  16          HD12      ILE  16   0.179  -8.601   7.775
  118   3HD1  ILE  16          HD13      ILE  16  -1.195  -9.690   7.973
  119    H    ASN  17           HN       ASN  17   1.323 -12.701   5.200
  120    HA   ASN  17           HA       ASN  17   0.566 -14.785   5.958
  121   1HB   ASN  17          HB2       ASN  17  -1.388 -12.788   7.050
  122   2HB   ASN  17          HB1       ASN  17  -1.712 -14.506   7.278
  123   1HD2  ASN  17          HD21      ASN  17   0.100 -11.842   8.480
  124   2HD2  ASN  17          HD22      ASN  17   1.112 -12.713   9.528
  125    H    GLY  18           HN       GLY  18  -0.187 -13.930   3.238
  126   1HA   GLY  18          HA2       GLY  18  -1.485 -14.736   1.457
  127   2HA   GLY  18          HA1       GLY  18  -1.950 -16.065   2.523
  128    H    ARG  19           HN       ARG  19  -2.492 -12.689   3.326
  129    HA   ARG  19           HA       ARG  19  -5.411 -12.997   2.771
  130   1HB   ARG  19          HB2       ARG  19  -4.136 -11.940   5.316
  131   2HB   ARG  19          HB1       ARG  19  -5.853 -11.804   4.933
  132   1HG   ARG  19          HG2       ARG  19  -5.952 -14.299   4.725
  133   2HG   ARG  19          HG1       ARG  19  -4.274 -14.371   5.264
  134   1HD   ARG  19          HD2       ARG  19  -4.812 -13.906   7.431
  135   2HD   ARG  19          HD1       ARG  19  -6.079 -12.766   6.978
  136    HE   ARG  19           HE       ARG  19  -6.659 -15.629   6.520
  137   1HH1  ARG  19          HH21      ARG  19  -6.345 -14.469   9.450
  138   2HH1  ARG  19          HH22      ARG  19  -8.020 -14.279   9.848
  139   1HH2  ARG  19          HH11      ARG  19  -9.113 -14.663   6.579
  140   2HH2  ARG  19          HH12      ARG  19  -9.588 -14.386   8.221
  141    H    CYS  20           HN       CYS  20  -6.178 -11.277   1.656
  142    HA   CYS  20           HA       CYS  20  -4.411  -8.894   1.398
  143   1HB   CYS  20          HB2       CYS  20  -4.889  -9.976  -0.714
  144   2HB   CYS  20          HB1       CYS  20  -6.618  -9.979  -0.376
  145    H    LYS  21           HN       LYS  21  -5.006  -7.426   2.917
  146    HA   LYS  21           HA       LYS  21  -7.908  -6.768   3.212
  147   1HB   LYS  21          HB2       LYS  21  -7.239  -5.668   5.347
  148   2HB   LYS  21          HB1       LYS  21  -6.857  -7.388   5.344
  149   1HG   LYS  21          HG2       LYS  21  -4.567  -7.021   5.163
  150   2HG   LYS  21          HG1       LYS  21  -4.773  -5.440   4.410
  151   1HD   LYS  21          HD2       LYS  21  -4.233  -4.683   6.501
  152   2HD   LYS  21          HD1       LYS  21  -5.946  -4.965   6.808
  153   1HE   LYS  21          HE2       LYS  21  -5.555  -6.852   8.060
  154   2HE   LYS  21          HE1       LYS  21  -4.125  -7.299   7.129
  155   1HZ   LYS  21          HZ1       LYS  21  -3.399  -6.605   9.258
  156   2HZ   LYS  21          HZ2       LYS  21  -4.342  -5.192   9.205
  157   3HZ   LYS  21          HZ3       LYS  21  -2.997  -5.358   8.181
  158    H    CYS  22           HN       CYS  22  -8.481  -4.514   3.025
  159    HA   CYS  22           HA       CYS  22  -6.556  -2.975   1.378
  160   1HB   CYS  22          HB2       CYS  22  -9.440  -2.285   1.960
  161   2HB   CYS  22          HB1       CYS  22  -8.429  -1.670   0.654
  162    H    TYR  23           HN       TYR  23  -6.223  -0.719   1.804
  163    HA   TYR  23           HA       TYR  23  -6.132  -0.108   4.709
  164   1HB   TYR  23          HB2       TYR  23  -4.616   0.822   2.295
  165   2HB   TYR  23          HB1       TYR  23  -4.721   1.895   3.691
  166    HD1  TYR  23           HD1      TYR  23  -2.995  -0.875   2.254
  167    HD2  TYR  23           HD2      TYR  23  -4.165   0.841   6.015
  168    HE1  TYR  23           HE1      TYR  23  -1.227  -2.183   3.403
  169    HE2  TYR  23           HE2      TYR  23  -2.397  -0.465   7.162
  170    HH   TYR  23           HH       TYR  23  -0.091  -1.517   6.382
  Start of MODEL    9
    1   1H    ALA   1          HT1       ALA   1   5.362 -13.791  -2.610
    2   2H    ALA   1          HT2       ALA   1   3.916 -14.652  -2.376
    3   3H    ALA   1          HT3       ALA   1   4.339 -13.391  -1.318
    4    HA   ALA   1           HA       ALA   1   4.303 -11.916  -3.399
    5   1HB   ALA   1          HB1       ALA   1   2.429 -14.123  -4.277
    6   2HB   ALA   1          HB2       ALA   1   4.084 -13.986  -4.874
    7   3HB   ALA   1          HB3       ALA   1   2.920 -12.698  -5.192
    8    H    CYS   2           HN       CYS   2   2.374 -10.582  -3.549
    9    HA   CYS   2           HA       CYS   2   0.745 -10.657  -1.124
   10   1HB   CYS   2          HB2       CYS   2   0.862  -8.813  -3.517
   11   2HB   CYS   2          HB1       CYS   2  -0.323  -8.608  -2.228
   12    H    GLY   3           HN       GLY   3   0.120 -10.902  -4.622
   13   1HA   GLY   3          HA2       GLY   3  -1.438 -12.572  -5.511
   14   2HA   GLY   3          HA1       GLY   3  -2.352 -12.456  -4.009
   15    H    SER   4           HN       SER   4  -1.113  -9.826  -6.068
   16    HA   SER   4           HA       SER   4  -2.218  -8.022  -7.086
   17   1HB   SER   4          HB2       SER   4  -4.386 -10.130  -7.351
   18   2HB   SER   4          HB1       SER   4  -4.378  -8.588  -8.202
   19    HG   SER   4           HG       SER   4  -2.326 -10.551  -8.328
   20    H    CYS   5           HN       CYS   5  -2.435  -8.423  -4.181
   21    HA   CYS   5           HA       CYS   5  -5.059  -7.880  -3.191
   22   1HB   CYS   5          HB2       CYS   5  -3.203  -8.634  -1.752
   23   2HB   CYS   5          HB1       CYS   5  -2.370  -7.104  -2.022
   24    H    ARG   6           HN       ARG   6  -2.418  -5.715  -4.200
   25    HA   ARG   6           HA       ARG   6  -3.554  -3.246  -3.386
   26   1HB   ARG   6          HB2       ARG   6  -1.517  -4.089  -5.382
   27   2HB   ARG   6          HB1       ARG   6  -2.223  -2.488  -5.609
   28   1HG   ARG   6          HG2       ARG   6  -1.777  -2.325  -2.982
   29   2HG   ARG   6          HG1       ARG   6  -0.531  -3.512  -3.371
   30   1HD   ARG   6          HD2       ARG   6  -0.798  -1.035  -5.053
   31   2HD   ARG   6          HD1       ARG   6   0.043  -0.953  -3.505
   32    HE   ARG   6           HE       ARG   6   1.813  -2.194  -4.463
   33   1HH1  ARG   6          HH11      ARG   6   0.929  -0.982  -7.089
   34   2HH1  ARG   6          HH12      ARG   6   0.806  -2.384  -8.098
   35   1HH2  ARG   6          HH21      ARG   6   0.809  -4.618  -5.447
   36   2HH2  ARG   6          HH22      ARG   6   0.744  -4.443  -7.169
   37    H    LYS   7           HN       LYS   7  -3.985  -5.080  -6.408
   38    HA   LYS   7           HA       LYS   7  -5.687  -3.112  -7.667
   39   1HB   LYS   7          HB2       LYS   7  -4.421  -5.315  -8.597
   40   2HB   LYS   7          HB1       LYS   7  -6.031  -5.996  -8.353
   41   1HG   LYS   7          HG2       LYS   7  -6.920  -3.953  -9.621
   42   2HG   LYS   7          HG1       LYS   7  -5.247  -3.653 -10.092
   43   1HD   LYS   7          HD2       LYS   7  -6.382  -6.400 -10.483
   44   2HD   LYS   7          HD1       LYS   7  -6.818  -5.129 -11.626
   45   1HE   LYS   7          HE2       LYS   7  -4.639  -4.879 -12.392
   46   2HE   LYS   7          HE1       LYS   7  -3.933  -5.481 -10.892
   47   1HZ   LYS   7          HZ1       LYS   7  -5.572  -7.262 -12.567
   48   2HZ   LYS   7          HZ2       LYS   7  -4.340  -7.657 -11.465
   49   3HZ   LYS   7          HZ3       LYS   7  -3.949  -6.982 -12.974
   50    H    LYS   8           HN       LYS   8  -6.341  -6.090  -5.790
   51    HA   LYS   8           HA       LYS   8  -9.183  -6.068  -5.913
   52   1HB   LYS   8          HB2       LYS   8  -7.218  -6.964  -3.796
   53   2HB   LYS   8          HB1       LYS   8  -8.957  -7.072  -3.517
   54   1HG   LYS   8          HG2       LYS   8  -9.269  -8.592  -5.298
   55   2HG   LYS   8          HG1       LYS   8  -7.709  -8.198  -6.020
   56   1HD   LYS   8          HD2       LYS   8  -6.560  -9.600  -4.635
   57   2HD   LYS   8          HD1       LYS   8  -7.587  -9.234  -3.248
   58   1HE   LYS   8          HE2       LYS   8  -9.166 -10.839  -3.819
   59   2HE   LYS   8          HE1       LYS   8  -8.751 -10.785  -5.533
   60   1HZ   LYS   8          HZ1       LYS   8  -7.124 -11.975  -3.352
   61   2HZ   LYS   8          HZ2       LYS   8  -6.612 -11.830  -4.966
   62   3HZ   LYS   8          HZ3       LYS   8  -7.941 -12.815  -4.578
   63    H    CYS   9           HN       CYS   9  -6.909  -4.455  -3.764
   64    HA   CYS   9           HA       CYS   9  -9.047  -2.706  -2.664
   65   1HB   CYS   9          HB2       CYS   9  -6.125  -3.032  -1.877
   66   2HB   CYS   9          HB1       CYS   9  -7.278  -1.976  -1.068
   67    H    LYS  10           HN       LYS  10  -8.453  -2.407  -5.378
   68    HA   LYS  10           HA       LYS  10  -6.622  -0.931  -6.581
   69   1HB   LYS  10          HB2       LYS  10  -9.568  -0.806  -6.679
   70   2HB   LYS  10          HB1       LYS  10  -8.753   0.601  -7.359
   71   1HG   LYS  10          HG2       LYS  10  -7.268  -1.514  -8.368
   72   2HG   LYS  10          HG1       LYS  10  -8.915  -2.144  -8.391
   73   1HD   LYS  10          HD2       LYS  10  -9.064  -1.032 -10.374
   74   2HD   LYS  10          HD1       LYS  10  -9.319   0.382  -9.353
   75   1HE   LYS  10          HE2       LYS  10  -7.532   1.230 -10.483
   76   2HE   LYS  10          HE1       LYS  10  -6.587   0.239  -9.371
   77   1HZ   LYS  10          HZ1       LYS  10  -7.394  -0.369 -12.147
   78   2HZ   LYS  10          HZ2       LYS  10  -6.925  -1.600 -11.074
   79   3HZ   LYS  10          HZ3       LYS  10  -5.836  -0.360 -11.476
   80    H    GLY  11           HN       GLY  11  -5.324   0.238  -5.192
   81   1HA   GLY  11          HA2       GLY  11  -5.105   2.876  -5.113
   82   2HA   GLY  11          HA1       GLY  11  -6.411   2.710  -3.939
   83    H    SER  12           HN       SER  12  -5.959   1.839  -1.893
   84    HA   SER  12           HA       SER  12  -3.100   1.186  -1.308
   85   1HB   SER  12          HB2       SER  12  -4.949   2.902   0.379
   86   2HB   SER  12          HB1       SER  12  -3.327   2.396   0.844
   87    HG   SER  12           HG       SER  12  -3.176   4.415  -0.077
   88    H    GLY  13           HN       GLY  13  -3.230  -0.966  -0.890
   89   1HA   GLY  13          HA2       GLY  13  -5.258  -1.884   1.111
   90   2HA   GLY  13          HA1       GLY  13  -4.856  -2.856  -0.306
   91    H    LYS  14           HN       LYS  14  -4.424  -4.334   1.700
   92    HA   LYS  14           HA       LYS  14  -1.500  -4.213   2.275
   93   1HB   LYS  14          HB2       LYS  14  -3.109  -3.454   4.212
   94   2HB   LYS  14          HB1       LYS  14  -3.387  -5.187   4.392
   95   1HG   LYS  14          HG2       LYS  14  -0.873  -5.485   4.467
   96   2HG   LYS  14          HG1       LYS  14  -0.738  -3.729   4.557
   97   1HD   LYS  14          HD2       LYS  14  -2.167  -3.746   6.592
   98   2HD   LYS  14          HD1       LYS  14  -2.209  -5.509   6.524
   99   1HE   LYS  14          HE2       LYS  14  -0.400  -5.297   7.921
  100   2HE   LYS  14          HE1       LYS  14   0.460  -5.131   6.390
  101   1HZ   LYS  14          HZ1       LYS  14   0.804  -3.362   8.200
  102   2HZ   LYS  14          HZ2       LYS  14  -0.712  -2.771   7.710
  103   3HZ   LYS  14          HZ3       LYS  14   0.572  -2.849   6.600
  104    H    CYS  15           HN       CYS  15  -0.491  -6.109   1.989
  105    HA   CYS  15           HA       CYS  15  -2.121  -8.615   1.734
  106   1HB   CYS  15          HB2       CYS  15  -0.315  -9.340   0.084
  107   2HB   CYS  15          HB1       CYS  15  -1.372  -8.051  -0.487
  108    H    ILE  16           HN       ILE  16  -1.719  -9.374   3.784
  109    HA   ILE  16           HA       ILE  16   1.079 -10.213   4.352
  110    HB   ILE  16           HB       ILE  16   0.788  -9.445   6.740
  111   1HG1  ILE  16          HG12      ILE  16  -1.272  -7.497   5.835
  112   2HG1  ILE  16          HG11      ILE  16  -1.829  -9.147   6.108
  113   1HG2  ILE  16          HG21      ILE  16   1.398  -7.144   6.254
  114   2HG2  ILE  16          HG22      ILE  16   0.637  -7.238   4.666
  115   3HG2  ILE  16          HG23      ILE  16   2.089  -8.181   5.005
  116   1HD1  ILE  16          HD11      ILE  16  -1.650  -7.300   8.080
  117   2HD1  ILE  16          HD12      ILE  16  -0.045  -8.023   8.195
  118   3HD1  ILE  16          HD13      ILE  16  -1.483  -9.033   8.364
  119    H    ASN  17           HN       ASN  17   1.208 -11.943   5.915
  120    HA   ASN  17           HA       ASN  17   0.515 -13.998   6.792
  121   1HB   ASN  17          HB2       ASN  17  -1.738 -12.120   7.394
  122   2HB   ASN  17          HB1       ASN  17  -1.997 -13.843   7.668
  123   1HD2  ASN  17          HD21      ASN  17   0.975 -11.848   8.108
  124   2HD2  ASN  17          HD22      ASN  17   1.173 -12.241   9.747
  125    H    GLY  18           HN       GLY  18   0.142 -13.382   3.918
  126   1HA   GLY  18          HA2       GLY  18  -0.765 -14.414   2.017
  127   2HA   GLY  18          HA1       GLY  18  -1.232 -15.741   3.084
  128    H    ARG  19           HN       ARG  19  -2.264 -12.400   3.495
  129    HA   ARG  19           HA       ARG  19  -5.009 -13.094   2.553
  130   1HB   ARG  19          HB2       ARG  19  -4.177 -12.120   5.276
  131   2HB   ARG  19          HB1       ARG  19  -5.754 -11.667   4.629
  132   1HG   ARG  19          HG2       ARG  19  -6.601 -13.748   4.928
  133   2HG   ARG  19          HG1       ARG  19  -5.153 -14.523   4.285
  134   1HD   ARG  19          HD2       ARG  19  -4.195 -13.573   6.650
  135   2HD   ARG  19          HD1       ARG  19  -5.872 -13.895   7.089
  136    HE   ARG  19           HE       ARG  19  -3.853 -15.902   6.512
  137   1HH1  ARG  19          HH11      ARG  19  -5.837 -16.609   4.475
  138   2HH1  ARG  19          HH12      ARG  19  -6.977 -17.580   5.345
  139   1HH2  ARG  19          HH21      ARG  19  -5.907 -16.511   8.467
  140   2HH2  ARG  19          HH22      ARG  19  -7.013 -17.528   7.606
  141    H    CYS  20           HN       CYS  20  -6.316 -11.117   2.153
  142    HA   CYS  20           HA       CYS  20  -4.607  -8.718   1.636
  143   1HB   CYS  20          HB2       CYS  20  -5.019  -9.824  -0.490
  144   2HB   CYS  20          HB1       CYS  20  -6.743  -9.929  -0.151
  145    H    LYS  21           HN       LYS  21  -5.323  -7.028   2.743
  146    HA   LYS  21           HA       LYS  21  -8.258  -6.679   3.208
  147   1HB   LYS  21          HB2       LYS  21  -6.908  -7.334   5.287
  148   2HB   LYS  21          HB1       LYS  21  -6.086  -5.781   5.126
  149   1HG   LYS  21          HG2       LYS  21  -8.641  -4.938   4.939
  150   2HG   LYS  21          HG1       LYS  21  -8.885  -6.367   5.944
  151   1HD   LYS  21          HD2       LYS  21  -6.790  -4.271   6.558
  152   2HD   LYS  21          HD1       LYS  21  -8.425  -4.212   7.218
  153   1HE   LYS  21          HE2       LYS  21  -6.828  -6.740   7.483
  154   2HE   LYS  21          HE1       LYS  21  -6.510  -5.399   8.583
  155   1HZ   LYS  21          HZ1       LYS  21  -8.818  -5.383   9.219
  156   2HZ   LYS  21          HZ2       LYS  21  -8.184  -6.943   9.444
  157   3HZ   LYS  21          HZ3       LYS  21  -9.179  -6.612   8.107
  158    H    CYS  22           HN       CYS  22  -8.958  -4.466   3.010
  159    HA   CYS  22           HA       CYS  22  -7.051  -2.762   1.502
  160   1HB   CYS  22          HB2       CYS  22 -10.007  -2.299   1.972
  161   2HB   CYS  22          HB1       CYS  22  -8.983  -1.497   0.786
  162    H    TYR  23           HN       TYR  23  -6.937  -0.473   2.022
  163    HA   TYR  23           HA       TYR  23  -6.948  -0.011   4.957
  164   1HB   TYR  23          HB2       TYR  23  -5.542   1.253   2.621
  165   2HB   TYR  23          HB1       TYR  23  -5.723   2.164   4.117
  166    HD1  TYR  23           HD1      TYR  23  -5.102   0.823   6.326
  167    HD2  TYR  23           HD2      TYR  23  -3.699  -0.154   2.385
  168    HE1  TYR  23           HE1      TYR  23  -3.197  -0.422   7.312
  169    HE2  TYR  23           HE2      TYR  23  -1.795  -1.399   3.371
  170    HH   TYR  23           HH       TYR  23  -0.521  -1.148   5.846
  Start of MODEL   10
    1   1H    ALA   1          HT1       ALA   1   1.800 -14.396  -7.577
    2   2H    ALA   1          HT2       ALA   1   1.416 -14.231  -5.930
    3   3H    ALA   1          HT3       ALA   1   2.279 -13.006  -6.731
    4    HA   ALA   1           HA       ALA   1   0.446 -12.243  -7.875
    5   1HB   ALA   1          HB1       ALA   1  -0.153 -14.529  -8.710
    6   2HB   ALA   1          HB2       ALA   1  -1.558 -13.574  -8.234
    7   3HB   ALA   1          HB3       ALA   1  -0.949 -14.841  -7.169
    8    H    CYS   2           HN       CYS   2  -0.339 -10.652  -6.611
    9    HA   CYS   2           HA       CYS   2  -0.757 -10.872  -3.780
   10   1HB   CYS   2          HB2       CYS   2  -1.591  -8.817  -5.837
   11   2HB   CYS   2          HB1       CYS   2  -1.995  -8.645  -4.129
   12    H    GLY   3           HN       GLY   3  -3.100 -10.523  -6.452
   13   1HA   GLY   3          HA2       GLY   3  -5.068 -12.031  -6.548
   14   2HA   GLY   3          HA1       GLY   3  -5.118 -11.973  -4.785
   15    H    SER   4           HN       SER   4  -4.669  -9.287  -7.074
   16    HA   SER   4           HA       SER   4  -5.868  -7.293  -7.363
   17   1HB   SER   4          HB2       SER   4  -7.974  -9.368  -6.888
   18   2HB   SER   4          HB1       SER   4  -8.461  -7.674  -6.883
   19    HG   SER   4           HG       SER   4  -7.129  -9.119  -8.933
   20    H    CYS   5           HN       CYS   5  -4.715  -7.996  -4.728
   21    HA   CYS   5           HA       CYS   5  -6.371  -7.298  -2.540
   22   1HB   CYS   5          HB2       CYS   5  -4.041  -8.258  -2.419
   23   2HB   CYS   5          HB1       CYS   5  -3.422  -6.658  -2.826
   24    H    ARG   6           HN       ARG   6  -4.751  -5.303  -4.925
   25    HA   ARG   6           HA       ARG   6  -4.765  -2.787  -3.636
   26   1HB   ARG   6          HB2       ARG   6  -4.900  -3.676  -6.497
   27   2HB   ARG   6          HB1       ARG   6  -5.139  -1.970  -6.116
   28   1HG   ARG   6          HG2       ARG   6  -2.792  -3.517  -5.016
   29   2HG   ARG   6          HG1       ARG   6  -2.721  -2.732  -6.594
   30   1HD   ARG   6          HD2       ARG   6  -2.993  -0.577  -5.666
   31   2HD   ARG   6          HD1       ARG   6  -3.610  -1.217  -4.143
   32    HE   ARG   6           HE       ARG   6  -0.927  -2.147  -4.552
   33   1HH1  ARG   6          HH21      ARG   6  -2.769  -0.248  -2.583
   34   2HH1  ARG   6          HH22      ARG   6  -1.540   0.912  -2.204
   35   1HH2  ARG   6          HH11      ARG   6   0.683  -0.268  -4.590
   36   2HH2  ARG   6          HH12      ARG   6   0.415   0.900  -3.340
   37    H    LYS   7           HN       LYS   7  -7.302  -4.213  -5.735
   38    HA   LYS   7           HA       LYS   7  -9.154  -2.023  -5.198
   39   1HB   LYS   7          HB2       LYS   7  -9.291  -4.627  -6.690
   40   2HB   LYS   7          HB1       LYS   7 -10.795  -3.812  -6.262
   41   1HG   LYS   7          HG2       LYS   7 -10.489  -2.197  -7.817
   42   2HG   LYS   7          HG1       LYS   7  -8.800  -1.970  -7.368
   43   1HD   LYS   7          HD2       LYS   7  -9.076  -4.528  -8.666
   44   2HD   LYS   7          HD1       LYS   7  -9.834  -3.294  -9.670
   45   1HE   LYS   7          HE2       LYS   7  -7.845  -2.092  -9.929
   46   2HE   LYS   7          HE1       LYS   7  -7.127  -2.775  -8.470
   47   1HZ   LYS   7          HZ1       LYS   7  -6.439  -3.609 -10.842
   48   2HZ   LYS   7          HZ2       LYS   7  -7.807  -4.598 -10.660
   49   3HZ   LYS   7          HZ3       LYS   7  -6.539  -4.681  -9.532
   50    H    LYS   8           HN       LYS   8  -8.794  -5.379  -4.019
   51    HA   LYS   8           HA       LYS   8 -11.145  -5.549  -2.438
   52   1HB   LYS   8          HB2       LYS   8  -8.364  -6.631  -1.856
   53   2HB   LYS   8          HB1       LYS   8  -9.824  -7.110  -0.990
   54   1HG   LYS   8          HG2       LYS   8 -10.652  -7.477  -3.552
   55   2HG   LYS   8          HG1       LYS   8  -8.932  -7.826  -3.726
   56   1HD   LYS   8          HD2       LYS   8 -10.402  -9.038  -1.418
   57   2HD   LYS   8          HD1       LYS   8 -10.633  -9.735  -3.021
   58   1HE   LYS   8          HE2       LYS   8  -8.409 -10.390  -3.210
   59   2HE   LYS   8          HE1       LYS   8  -7.843  -9.154  -2.089
   60   1HZ   LYS   8          HZ1       LYS   8  -7.910 -10.658  -0.485
   61   2HZ   LYS   8          HZ2       LYS   8  -8.518 -11.829  -1.552
   62   3HZ   LYS   8          HZ3       LYS   8  -9.585 -10.833  -0.685
   63    H    CYS   9           HN       CYS   9  -7.983  -4.149  -1.763
   64    HA   CYS   9           HA       CYS   9  -8.988  -2.896   0.738
   65   1HB   CYS   9          HB2       CYS   9  -6.212  -3.222  -0.446
   66   2HB   CYS   9          HB1       CYS   9  -6.533  -2.194   0.949
   67    H    LYS  10           HN       LYS  10 -10.142  -2.016  -1.645
   68    HA   LYS  10           HA       LYS  10  -9.392  -0.108  -3.316
   69   1HB   LYS  10          HB2       LYS  10 -11.785  -0.316  -1.588
   70   2HB   LYS  10          HB1       LYS  10 -11.531   1.259  -2.336
   71   1HG   LYS  10          HG2       LYS  10 -11.069  -0.938  -4.214
   72   2HG   LYS  10          HG1       LYS  10 -12.700  -0.965  -3.549
   73   1HD   LYS  10          HD2       LYS  10 -12.509   1.668  -4.064
   74   2HD   LYS  10          HD1       LYS  10 -11.397   1.068  -5.293
   75   1HE   LYS  10          HE2       LYS  10 -13.553  -0.678  -5.484
   76   2HE   LYS  10          HE1       LYS  10 -14.316   0.884  -5.183
   77   1HZ   LYS  10          HZ1       LYS  10 -13.816   0.293  -7.577
   78   2HZ   LYS  10          HZ2       LYS  10 -12.179   0.547  -7.200
   79   3HZ   LYS  10          HZ3       LYS  10 -13.296   1.819  -7.049
   80    H    GLY  11           HN       GLY  11  -7.528   0.969  -2.781
   81   1HA   GLY  11          HA2       GLY  11  -7.208   3.509  -2.234
   82   2HA   GLY  11          HA1       GLY  11  -7.633   3.005  -0.596
   83    H    SER  12           HN       SER  12  -6.206   1.463   0.481
   84    HA   SER  12           HA       SER  12  -3.538   1.014  -0.722
   85   1HB   SER  12          HB2       SER  12  -2.484   1.881   1.444
   86   2HB   SER  12          HB1       SER  12  -3.113   3.104   0.344
   87    HG   SER  12           HG       SER  12  -4.579   3.607   1.768
   88    H    GLY  13           HN       GLY  13  -3.228  -1.115  -0.423
   89   1HA   GLY  13          HA2       GLY  13  -3.860  -2.301   2.239
   90   2HA   GLY  13          HA1       GLY  13  -4.393  -3.118   0.771
   91    H    LYS  14           HN       LYS  14  -2.922  -4.736   2.072
   92    HA   LYS  14           HA       LYS  14  -0.207  -4.642   0.837
   93   1HB   LYS  14          HB2       LYS  14  -0.353  -4.070   3.386
   94   2HB   LYS  14          HB1       LYS  14  -0.618  -5.803   3.580
   95   1HG   LYS  14          HG2       LYS  14   1.470  -6.190   2.214
   96   2HG   LYS  14          HG1       LYS  14   1.766  -4.453   2.288
   97   1HD   LYS  14          HD2       LYS  14   1.466  -4.778   4.871
   98   2HD   LYS  14          HD1       LYS  14   1.802  -6.473   4.515
   99   1HE   LYS  14          HE2       LYS  14   3.863  -5.650   3.246
  100   2HE   LYS  14          HE1       LYS  14   3.579  -4.082   4.000
  101   1HZ   LYS  14          HZ1       LYS  14   4.167  -6.660   5.331
  102   2HZ   LYS  14          HZ2       LYS  14   3.554  -5.318   6.172
  103   3HZ   LYS  14          HZ3       LYS  14   5.064  -5.222   5.398
  104    H    CYS  15           HN       CYS  15   0.192  -6.443  -0.300
  105    HA   CYS  15           HA       CYS  15  -1.394  -8.923   0.282
  106   1HB   CYS  15          HB2       CYS  15  -0.920  -9.506  -2.140
  107   2HB   CYS  15          HB1       CYS  15  -1.975  -8.115  -1.919
  108    H    ILE  16           HN       ILE  16   0.029  -9.866   1.696
  109    HA   ILE  16           HA       ILE  16   2.573 -10.862   0.518
  110    HB   ILE  16           HB       ILE  16   3.749 -10.361   2.678
  111   1HG1  ILE  16          HG12      ILE  16   1.708  -8.305   3.348
  112   2HG1  ILE  16          HG11      ILE  16   1.261  -9.973   3.701
  113   1HG2  ILE  16          HG21      ILE  16   3.902  -8.891   0.648
  114   2HG2  ILE  16          HG22      ILE  16   4.136  -8.019   2.164
  115   3HG2  ILE  16          HG23      ILE  16   2.595  -7.911   1.313
  116   1HD1  ILE  16          HD11      ILE  16   2.929  -8.286   5.238
  117   2HD1  ILE  16          HD12      ILE  16   3.989  -9.506   4.532
  118   3HD1  ILE  16          HD13      ILE  16   2.603  -9.998   5.506
  119    H    ASN  17           HN       ASN  17   3.393 -12.758   1.647
  120    HA   ASN  17           HA       ASN  17   3.101 -14.867   2.620
  121   1HB   ASN  17          HB2       ASN  17   1.482 -13.092   4.457
  122   2HB   ASN  17          HB1       ASN  17   1.658 -14.822   4.754
  123   1HD2  ASN  17          HD21      ASN  17   3.412 -11.744   4.660
  124   2HD2  ASN  17          HD22      ASN  17   4.827 -12.326   5.397
  125    H    GLY  18           HN       GLY  18   1.286 -13.921   0.456
  126   1HA   GLY  18          HA2       GLY  18  -0.583 -14.710  -0.714
  127   2HA   GLY  18          HA1       GLY  18  -0.492 -16.144   0.310
  128    H    ARG  19           HN       ARG  19  -0.877 -12.878   1.562
  129    HA   ARG  19           HA       ARG  19  -3.757 -13.385   2.142
  130   1HB   ARG  19          HB2       ARG  19  -1.582 -12.776   4.153
  131   2HB   ARG  19          HB1       ARG  19  -3.278 -12.429   4.483
  132   1HG   ARG  19          HG2       ARG  19  -2.861 -15.133   3.413
  133   2HG   ARG  19          HG1       ARG  19  -2.013 -14.860   4.935
  134   1HD   ARG  19          HD2       ARG  19  -4.139 -14.009   5.927
  135   2HD   ARG  19          HD1       ARG  19  -4.968 -14.406   4.422
  136    HE   ARG  19           HE       ARG  19  -3.845 -16.802   5.056
  137   1HH1  ARG  19          HH21      ARG  19  -6.722 -15.598   5.748
  138   2HH1  ARG  19          HH22      ARG  19  -6.896 -16.249   7.344
  139   1HH2  ARG  19          HH11      ARG  19  -3.563 -17.161   7.624
  140   2HH2  ARG  19          HH12      ARG  19  -5.108 -17.136   8.405
  141    H    CYS  20           HN       CYS  20  -4.953 -11.575   1.800
  142    HA   CYS  20           HA       CYS  20  -3.493  -9.044   1.230
  143   1HB   CYS  20          HB2       CYS  20  -4.874  -9.733  -0.612
  144   2HB   CYS  20          HB1       CYS  20  -6.241 -10.064   0.445
  145    H    LYS  21           HN       LYS  21  -3.352  -7.801   3.009
  146    HA   LYS  21           HA       LYS  21  -5.779  -7.441   4.725
  147   1HB   LYS  21          HB2       LYS  21  -4.092  -6.624   6.468
  148   2HB   LYS  21          HB1       LYS  21  -4.049  -8.352   6.124
  149   1HG   LYS  21          HG2       LYS  21  -2.099  -8.133   4.763
  150   2HG   LYS  21          HG1       LYS  21  -2.251  -6.377   4.704
  151   1HD   LYS  21          HD2       LYS  21  -0.985  -6.188   6.555
  152   2HD   LYS  21          HD1       LYS  21  -2.143  -7.158   7.463
  153   1HE   LYS  21          HE2       LYS  21  -0.952  -9.118   7.158
  154   2HE   LYS  21          HE1       LYS  21  -0.245  -8.577   5.636
  155   1HZ   LYS  21          HZ1       LYS  21   0.440  -7.358   8.248
  156   2HZ   LYS  21          HZ2       LYS  21   1.251  -7.177   6.766
  157   3HZ   LYS  21          HZ3       LYS  21   1.303  -8.662   7.590
  158    H    CYS  22           HN       CYS  22  -6.342  -5.238   5.195
  159    HA   CYS  22           HA       CYS  22  -5.219  -3.301   3.253
  160   1HB   CYS  22          HB2       CYS  22  -7.627  -2.972   5.060
  161   2HB   CYS  22          HB1       CYS  22  -7.195  -1.971   3.676
  162    H    TYR  23           HN       TYR  23  -4.891  -1.062   4.002
  163    HA   TYR  23           HA       TYR  23  -3.425  -1.021   6.586
  164   1HB   TYR  23          HB2       TYR  23  -3.421   0.719   4.122
  165   2HB   TYR  23          HB1       TYR  23  -2.696   1.280   5.628
  166    HD1  TYR  23           HD1      TYR  23  -2.078  -0.463   2.630
  167    HD2  TYR  23           HD2      TYR  23  -1.106  -0.505   6.814
  168    HE1  TYR  23           HE1      TYR  23  -0.038  -1.785   2.143
  169    HE2  TYR  23           HE2      TYR  23   0.937  -1.824   6.326
  170    HH   TYR  23           HH       TYR  23   2.455  -2.202   4.379
  Start of MODEL   11
    1   1H    ALA   1          HT1       ALA   1  -1.474 -15.450  -6.654
    2   2H    ALA   1          HT2       ALA   1  -1.993 -17.053  -6.432
    3   3H    ALA   1          HT3       ALA   1  -1.473 -16.134  -5.102
    4    HA   ALA   1           HA       ALA   1  -3.748 -15.205  -6.721
    5   1HB   ALA   1          HB1       ALA   1  -5.220 -16.422  -5.073
    6   2HB   ALA   1          HB2       ALA   1  -3.789 -17.297  -4.527
    7   3HB   ALA   1          HB3       ALA   1  -4.358 -17.485  -6.186
    8    H    CYS   2           HN       CYS   2  -5.085 -13.787  -5.399
    9    HA   CYS   2           HA       CYS   2  -3.828 -12.832  -2.870
   10   1HB   CYS   2          HB2       CYS   2  -4.671 -11.103  -5.216
   11   2HB   CYS   2          HB1       CYS   2  -4.243 -10.477  -3.623
   12    H    GLY   3           HN       GLY   3  -6.538 -11.651  -4.858
   13   1HA   GLY   3          HA2       GLY   3  -8.865 -12.456  -4.219
   14   2HA   GLY   3          HA1       GLY   3  -8.365 -12.191  -2.548
   15    H    SER   4           HN       SER   4  -8.142 -10.285  -5.576
   16    HA   SER   4           HA       SER   4  -8.655  -8.036  -6.012
   17   1HB   SER   4          HB2       SER   4 -10.920  -9.154  -5.196
   18   2HB   SER   4          HB1       SER   4 -10.691  -8.087  -3.814
   19    HG   SER   4           HG       SER   4 -11.389  -6.552  -5.050
   20    H    CYS   5           HN       CYS   5  -6.755  -8.780  -3.741
   21    HA   CYS   5           HA       CYS   5  -6.985  -6.978  -1.567
   22   1HB   CYS   5          HB2       CYS   5  -5.340  -8.864  -1.722
   23   2HB   CYS   5          HB1       CYS   5  -4.420  -7.914  -2.888
   24    H    ARG   6           HN       ARG   6  -5.974  -6.458  -4.875
   25    HA   ARG   6           HA       ARG   6  -4.569  -3.985  -4.541
   26   1HB   ARG   6          HB2       ARG   6  -4.634  -5.438  -6.631
   27   2HB   ARG   6          HB1       ARG   6  -6.232  -4.762  -6.949
   28   1HG   ARG   6          HG2       ARG   6  -5.006  -2.458  -6.585
   29   2HG   ARG   6          HG1       ARG   6  -3.561  -3.394  -6.968
   30   1HD   ARG   6          HD2       ARG   6  -4.382  -3.979  -9.122
   31   2HD   ARG   6          HD1       ARG   6  -6.022  -3.471  -8.719
   32    HE   ARG   6           HE       ARG   6  -4.422  -1.179  -8.449
   33   1HH1  ARG   6          HH21      ARG   6  -3.093  -2.675 -10.810
   34   2HH1  ARG   6          HH22      ARG   6  -3.890  -1.916 -12.147
   35   1HH2  ARG   6          HH11      ARG   6  -6.395  -0.514 -10.201
   36   2HH2  ARG   6          HH12      ARG   6  -5.757  -0.688 -11.802
   37    H    LYS   7           HN       LYS   7  -7.991  -4.673  -5.313
   38    HA   LYS   7           HA       LYS   7  -8.755  -1.864  -5.244
   39   1HB   LYS   7          HB2       LYS   7 -10.468  -4.373  -5.103
   40   2HB   LYS   7          HB1       LYS   7 -11.068  -2.739  -5.392
   41   1HG   LYS   7          HG2       LYS   7  -9.293  -2.753  -7.344
   42   2HG   LYS   7          HG1       LYS   7  -9.439  -4.503  -7.193
   43   1HD   LYS   7          HD2       LYS   7 -11.223  -4.292  -8.577
   44   2HD   LYS   7          HD1       LYS   7 -12.079  -3.702  -7.153
   45   1HE   LYS   7          HE2       LYS   7 -12.463  -1.918  -8.561
   46   2HE   LYS   7          HE1       LYS   7 -10.921  -1.402  -7.882
   47   1HZ   LYS   7          HZ1       LYS   7  -9.927  -1.611  -9.849
   48   2HZ   LYS   7          HZ2       LYS   7 -11.476  -1.752 -10.530
   49   3HZ   LYS   7          HZ3       LYS   7 -10.590  -3.145 -10.137
   50    H    LYS   8           HN       LYS   8  -8.948  -4.602  -2.965
   51    HA   LYS   8           HA       LYS   8 -10.418  -3.344  -0.877
   52   1HB   LYS   8          HB2       LYS   8  -8.235  -5.436  -0.891
   53   2HB   LYS   8          HB1       LYS   8  -8.917  -4.850   0.627
   54   1HG   LYS   8          HG2       LYS   8 -10.627  -5.894  -1.639
   55   2HG   LYS   8          HG1       LYS   8 -10.030  -6.927  -0.340
   56   1HD   LYS   8          HD2       LYS   8 -11.051  -5.084   1.227
   57   2HD   LYS   8          HD1       LYS   8 -12.000  -4.663  -0.199
   58   1HE   LYS   8          HE2       LYS   8 -12.903  -6.901  -0.341
   59   2HE   LYS   8          HE1       LYS   8 -11.825  -7.467   0.935
   60   1HZ   LYS   8          HZ1       LYS   8 -13.896  -5.367   1.279
   61   2HZ   LYS   8          HZ2       LYS   8 -12.913  -6.028   2.497
   62   3HZ   LYS   8          HZ3       LYS   8 -14.085  -6.991   1.731
   63    H    CYS   9           HN       CYS   9  -6.977  -3.372  -1.643
   64    HA   CYS   9           HA       CYS   9  -6.445  -1.163   0.274
   65   1HB   CYS   9          HB2       CYS   9  -4.625  -2.999  -1.320
   66   2HB   CYS   9          HB1       CYS   9  -4.030  -1.626  -0.389
   67    H    LYS  10           HN       LYS  10  -8.076  -0.543  -1.882
   68    HA   LYS  10           HA       LYS  10  -7.493   0.245  -4.330
   69   1HB   LYS  10          HB2       LYS  10  -8.865   1.670  -2.130
   70   2HB   LYS  10          HB1       LYS  10  -8.440   2.663  -3.523
   71   1HG   LYS  10          HG2       LYS  10  -9.542   0.099  -4.363
   72   2HG   LYS  10          HG1       LYS  10 -10.657   0.953  -3.298
   73   1HD   LYS  10          HD2       LYS  10 -10.388   2.989  -4.725
   74   2HD   LYS  10          HD1       LYS  10  -9.392   2.041  -5.829
   75   1HE   LYS  10          HE2       LYS  10 -11.176   0.846  -6.635
   76   2HE   LYS  10          HE1       LYS  10 -12.033   0.886  -5.094
   77   1HZ   LYS  10          HZ1       LYS  10 -11.676   3.270  -6.819
   78   2HZ   LYS  10          HZ2       LYS  10 -12.696   3.109  -5.470
   79   3HZ   LYS  10          HZ3       LYS  10 -13.036   2.260  -6.902
   80    H    GLY  11           HN       GLY  11  -5.327   0.429  -4.811
   81   1HA   GLY  11          HA2       GLY  11  -4.050   2.655  -5.478
   82   2HA   GLY  11          HA1       GLY  11  -3.793   2.745  -3.735
   83    H    SER  12           HN       SER  12  -2.893   0.629  -2.775
   84    HA   SER  12           HA       SER  12  -1.372  -1.191  -4.405
   85   1HB   SER  12          HB2       SER  12   0.899  -0.365  -3.757
   86   2HB   SER  12          HB1       SER  12   0.050   0.753  -4.823
   87    HG   SER  12           HG       SER  12   0.450   2.131  -3.282
   88    H    GLY  13           HN       GLY  13  -1.796  -2.898  -3.076
   89   1HA   GLY  13          HA2       GLY  13  -1.131  -2.603  -0.171
   90   2HA   GLY  13          HA1       GLY  13  -2.513  -3.546  -0.728
   91    H    LYS  14           HN       LYS  14  -1.531  -5.321   0.436
   92    HA   LYS  14           HA       LYS  14   0.465  -6.803  -1.207
   93   1HB   LYS  14          HB2       LYS  14   1.498  -5.650   0.852
   94   2HB   LYS  14          HB1       LYS  14   0.566  -6.799   1.812
   95   1HG   LYS  14          HG2       LYS  14   1.625  -8.664   0.527
   96   2HG   LYS  14          HG1       LYS  14   2.629  -7.475  -0.304
   97   1HD   LYS  14          HD2       LYS  14   3.237  -6.704   2.137
   98   2HD   LYS  14          HD1       LYS  14   2.697  -8.326   2.574
   99   1HE   LYS  14          HE2       LYS  14   4.338  -9.359   1.197
  100   2HE   LYS  14          HE1       LYS  14   4.690  -7.851   0.354
  101   1HZ   LYS  14          HZ1       LYS  14   6.420  -8.079   1.869
  102   2HZ   LYS  14          HZ2       LYS  14   5.402  -8.629   3.113
  103   3HZ   LYS  14          HZ3       LYS  14   5.367  -6.997   2.641
  104    H    CYS  15           HN       CYS  15  -0.093  -8.903  -1.481
  105    HA   CYS  15           HA       CYS  15  -2.273 -10.054   0.228
  106   1HB   CYS  15          HB2       CYS  15  -2.873 -11.397  -1.862
  107   2HB   CYS  15          HB1       CYS  15  -3.249  -9.677  -1.937
  108    H    ILE  16           HN       ILE  16  -1.023 -11.273   1.570
  109    HA   ILE  16           HA       ILE  16   0.455 -13.544   0.351
  110    HB   ILE  16           HB       ILE  16   2.356 -13.125   1.990
  111   1HG1  ILE  16          HG12      ILE  16   1.613 -10.242   2.017
  112   2HG1  ILE  16          HG11      ILE  16   0.707 -11.292   3.106
  113   1HG2  ILE  16          HG21      ILE  16   2.373 -12.575  -0.493
  114   2HG2  ILE  16          HG22      ILE  16   3.493 -11.635   0.493
  115   3HG2  ILE  16          HG23      ILE  16   1.975 -10.916  -0.044
  116   1HD1  ILE  16          HD11      ILE  16   2.730 -12.065   4.163
  117   2HD1  ILE  16          HD12      ILE  16   2.794 -10.301   4.118
  118   3HD1  ILE  16          HD13      ILE  16   3.730 -11.247   2.960
  119    H    ASN  17           HN       ASN  17   0.666 -15.339   1.760
  120    HA   ASN  17           HA       ASN  17  -0.059 -16.802   3.439
  121   1HB   ASN  17          HB2       ASN  17   0.332 -14.180   4.847
  122   2HB   ASN  17          HB1       ASN  17  -0.394 -15.520   5.731
  123   1HD2  ASN  17          HD21      ASN  17   2.561 -14.123   5.091
  124   2HD2  ASN  17          HD22      ASN  17   3.561 -15.479   5.298
  125    H    GLY  18           HN       GLY  18  -2.040 -15.414   1.703
  126   1HA   GLY  18          HA2       GLY  18  -4.375 -15.302   1.487
  127   2HA   GLY  18          HA1       GLY  18  -4.463 -16.334   2.918
  128    H    ARG  19           HN       ARG  19  -2.829 -13.223   2.863
  129    HA   ARG  19           HA       ARG  19  -5.035 -11.994   4.460
  130   1HB   ARG  19          HB2       ARG  19  -2.953 -12.926   5.790
  131   2HB   ARG  19          HB1       ARG  19  -2.161 -11.476   5.173
  132   1HG   ARG  19          HG2       ARG  19  -3.969 -10.084   6.129
  133   2HG   ARG  19          HG1       ARG  19  -4.741 -11.536   6.766
  134   1HD   ARG  19          HD2       ARG  19  -2.294 -11.909   7.796
  135   2HD   ARG  19          HD1       ARG  19  -2.264 -10.150   7.683
  136    HE   ARG  19           HE       ARG  19  -4.043 -11.742   9.424
  137   1HH1  ARG  19          HH21      ARG  19  -5.134  -9.251   7.787
  138   2HH1  ARG  19          HH22      ARG  19  -5.113  -8.068   9.053
  139   1HH2  ARG  19          HH11      ARG  19  -3.164  -9.992  11.180
  140   2HH2  ARG  19          HH12      ARG  19  -4.000  -8.489  10.974
  141    H    CYS  20           HN       CYS  20  -5.525  -9.988   3.707
  142    HA   CYS  20           HA       CYS  20  -3.665  -8.763   1.727
  143   1HB   CYS  20          HB2       CYS  20  -5.873  -9.159   0.822
  144   2HB   CYS  20          HB1       CYS  20  -6.639  -8.398   2.213
  145    H    LYS  21           HN       LYS  21  -2.326  -7.388   2.754
  146    HA   LYS  21           HA       LYS  21  -3.456  -5.462   4.749
  147   1HB   LYS  21          HB2       LYS  21  -1.502  -7.068   5.387
  148   2HB   LYS  21          HB1       LYS  21  -0.514  -6.030   4.360
  149   1HG   LYS  21          HG2       LYS  21  -2.077  -4.325   6.042
  150   2HG   LYS  21          HG1       LYS  21  -1.366  -5.571   7.066
  151   1HD   LYS  21          HD2       LYS  21   0.327  -4.158   5.017
  152   2HD   LYS  21          HD1       LYS  21   0.012  -3.405   6.581
  153   1HE   LYS  21          HE2       LYS  21   0.936  -5.333   7.747
  154   2HE   LYS  21          HE1       LYS  21   1.142  -6.196   6.223
  155   1HZ   LYS  21          HZ1       LYS  21   3.220  -5.317   6.554
  156   2HZ   LYS  21          HZ2       LYS  21   2.637  -3.893   7.274
  157   3HZ   LYS  21          HZ3       LYS  21   2.517  -4.109   5.593
  158    H    CYS  22           HN       CYS  22  -3.046  -3.228   4.346
  159    HA   CYS  22           HA       CYS  22  -2.254  -2.630   1.551
  160   1HB   CYS  22          HB2       CYS  22  -3.370  -0.690   3.584
  161   2HB   CYS  22          HB1       CYS  22  -3.346  -0.522   1.831
  162    H    TYR  23           HN       TYR  23  -0.821  -0.825   1.136
  163    HA   TYR  23           HA       TYR  23   1.429  -0.721   3.075
  164   1HB   TYR  23          HB2       TYR  23   1.146  -0.029   0.145
  165   2HB   TYR  23          HB1       TYR  23   2.557   0.469   1.078
  166    HD1  TYR  23           HD1      TYR  23   3.436  -1.585   2.694
  167    HD2  TYR  23           HD2      TYR  23   1.427  -1.976  -1.083
  168    HE1  TYR  23           HE1      TYR  23   4.439  -3.834   2.392
  169    HE2  TYR  23           HE2      TYR  23   2.427  -4.225  -1.383
  170    HH   TYR  23           HH       TYR  23   4.640  -5.390  -0.445
  Start of MODEL   12
    1   1H    ALA   1          HT1       ALA   1  -1.046 -17.563  -5.379
    2   2H    ALA   1          HT2       ALA   1  -2.199 -17.001  -4.264
    3   3H    ALA   1          HT3       ALA   1  -0.542 -16.909  -3.897
    4    HA   ALA   1           HA       ALA   1  -0.159 -15.155  -5.313
    5   1HB   ALA   1          HB1       ALA   1  -2.790 -15.850  -6.654
    6   2HB   ALA   1          HB2       ALA   1  -1.193 -16.264  -7.277
    7   3HB   ALA   1          HB3       ALA   1  -1.681 -14.574  -7.154
    8    H    CYS   2           HN       CYS   2  -1.021 -12.947  -5.187
    9    HA   CYS   2           HA       CYS   2  -2.432 -12.422  -2.743
   10   1HB   CYS   2          HB2       CYS   2  -1.824 -10.619  -5.104
   11   2HB   CYS   2          HB1       CYS   2  -2.455 -10.055  -3.557
   12    H    GLY   3           HN       GLY   3  -3.445 -11.413  -6.013
   13   1HA   GLY   3          HA2       GLY   3  -5.641 -12.253  -6.902
   14   2HA   GLY   3          HA1       GLY   3  -6.267 -12.078  -5.262
   15    H    SER   4           HN       SER   4  -4.396  -9.979  -7.486
   16    HA   SER   4           HA       SER   4  -4.691  -7.729  -8.081
   17   1HB   SER   4          HB2       SER   4  -7.570  -8.573  -7.662
   18   2HB   SER   4          HB1       SER   4  -7.104  -7.013  -8.334
   19    HG   SER   4           HG       SER   4  -6.742  -9.608  -9.375
   20    H    CYS   5           HN       CYS   5  -4.396  -8.538  -5.180
   21    HA   CYS   5           HA       CYS   5  -5.949  -6.882  -3.463
   22   1HB   CYS   5          HB2       CYS   5  -4.431  -8.722  -2.710
   23   2HB   CYS   5          HB1       CYS   5  -3.050  -7.705  -3.118
   24    H    ARG   6           HN       ARG   6  -3.116  -6.219  -5.437
   25    HA   ARG   6           HA       ARG   6  -2.344  -3.717  -4.304
   26   1HB   ARG   6          HB2       ARG   6  -1.131  -5.184  -6.071
   27   2HB   ARG   6          HB1       ARG   6  -2.124  -4.325  -7.249
   28   1HG   ARG   6          HG2       ARG   6  -0.326  -2.886  -7.191
   29   2HG   ARG   6          HG1       ARG   6  -1.258  -2.209  -5.855
   30   1HD   ARG   6          HD2       ARG   6   0.022  -3.746  -4.306
   31   2HD   ARG   6          HD1       ARG   6   1.058  -4.153  -5.673
   32    HE   ARG   6           HE       ARG   6   1.124  -1.662  -4.165
   33   1HH1  ARG   6          HH21      ARG   6   3.528  -2.975  -5.359
   34   2HH1  ARG   6          HH22      ARG   6   3.895  -1.930  -6.690
   35   1HH2  ARG   6          HH11      ARG   6   0.787  -0.391  -6.681
   36   2HH2  ARG   6          HH12      ARG   6   2.343  -0.466  -7.439
   37    H    LYS   7           HN       LYS   7  -4.567  -4.475  -6.998
   38    HA   LYS   7           HA       LYS   7  -5.280  -1.685  -7.423
   39   1HB   LYS   7          HB2       LYS   7  -6.485  -4.295  -8.392
   40   2HB   LYS   7          HB1       LYS   7  -7.126  -2.715  -8.848
   41   1HG   LYS   7          HG2       LYS   7  -4.982  -2.080  -9.822
   42   2HG   LYS   7          HG1       LYS   7  -4.258  -3.595  -9.284
   43   1HD   LYS   7          HD2       LYS   7  -5.311  -4.838 -10.911
   44   2HD   LYS   7          HD1       LYS   7  -6.723  -3.779 -10.953
   45   1HE   LYS   7          HE2       LYS   7  -5.687  -2.230 -12.360
   46   2HE   LYS   7          HE1       LYS   7  -4.066  -2.732 -11.883
   47   1HZ   LYS   7          HZ1       LYS   7  -4.309  -4.749 -13.098
   48   2HZ   LYS   7          HZ2       LYS   7  -4.732  -3.470 -14.133
   49   3HZ   LYS   7          HZ3       LYS   7  -5.942  -4.432 -13.429
   50    H    LYS   8           HN       LYS   8  -6.859  -4.466  -5.815
   51    HA   LYS   8           HA       LYS   8  -9.287  -3.195  -5.053
   52   1HB   LYS   8          HB2       LYS   8  -8.671  -5.644  -4.704
   53   2HB   LYS   8          HB1       LYS   8  -7.714  -5.125  -3.316
   54   1HG   LYS   8          HG2       LYS   8  -9.558  -4.677  -2.041
   55   2HG   LYS   8          HG1       LYS   8 -10.492  -4.090  -3.417
   56   1HD   LYS   8          HD2       LYS   8 -11.520  -6.145  -2.711
   57   2HD   LYS   8          HD1       LYS   8 -10.651  -6.495  -4.206
   58   1HE   LYS   8          HE2       LYS   8 -10.050  -8.269  -2.756
   59   2HE   LYS   8          HE1       LYS   8  -8.677  -7.165  -2.683
   60   1HZ   LYS   8          HZ1       LYS   8  -9.074  -7.516  -0.476
   61   2HZ   LYS   8          HZ2       LYS   8 -10.751  -7.694  -0.677
   62   3HZ   LYS   8          HZ3       LYS   8 -10.046  -6.149  -0.728
   63    H    CYS   9           HN       CYS   9  -6.118  -3.313  -3.525
   64    HA   CYS   9           HA       CYS   9  -6.862  -1.155  -1.620
   65   1HB   CYS   9          HB2       CYS   9  -4.434  -2.977  -1.799
   66   2HB   CYS   9          HB1       CYS   9  -4.619  -1.694  -0.604
   67    H    LYS  10           HN       LYS  10  -6.785  -0.476  -4.316
   68    HA   LYS  10           HA       LYS  10  -4.778   0.321  -5.834
   69   1HB   LYS  10          HB2       LYS  10  -7.226   1.747  -4.978
   70   2HB   LYS  10          HB1       LYS  10  -6.010   2.739  -5.782
   71   1HG   LYS  10          HG2       LYS  10  -6.223   0.279  -7.235
   72   2HG   LYS  10          HG1       LYS  10  -7.855   0.889  -6.964
   73   1HD   LYS  10          HD2       LYS  10  -7.167   1.922  -8.983
   74   2HD   LYS  10          HD1       LYS  10  -6.942   3.168  -7.755
   75   1HE   LYS  10          HE2       LYS  10  -4.648   3.056  -7.862
   76   2HE   LYS  10          HE1       LYS  10  -4.648   1.336  -8.252
   77   1HZ   LYS  10          HZ1       LYS  10  -5.150   1.765 -10.471
   78   2HZ   LYS  10          HZ2       LYS  10  -3.998   2.950 -10.082
   79   3HZ   LYS  10          HZ3       LYS  10  -5.646   3.357 -10.163
   80    H    GLY  11           HN       GLY  11  -2.813   0.455  -4.805
   81   1HA   GLY  11          HA2       GLY  11  -1.238   2.480  -4.489
   82   2HA   GLY  11          HA1       GLY  11  -2.291   2.882  -3.131
   83    H    SER  12           HN       SER  12  -1.744   2.057  -1.183
   84    HA   SER  12           HA       SER  12   0.351  -0.064  -1.075
   85   1HB   SER  12          HB2       SER  12  -0.510   2.130   0.794
   86   2HB   SER  12          HB1       SER  12   0.341   0.725   1.429
   87    HG   SER  12           HG       SER  12   1.950   1.163  -0.220
   88    H    GLY  13           HN       GLY  13  -0.435  -2.077  -0.771
   89   1HA   GLY  13          HA2       GLY  13  -2.664  -2.480   1.173
   90   2HA   GLY  13          HA1       GLY  13  -2.750  -3.240  -0.418
   91    H    LYS  14           HN       LYS  14  -2.874  -5.094   1.329
   92    HA   LYS  14           HA       LYS  14  -0.181  -6.346   1.423
   93   1HB   LYS  14          HB2       LYS  14  -0.967  -5.150   3.657
   94   2HB   LYS  14          HB1       LYS  14  -1.932  -6.613   3.841
   95   1HG   LYS  14          HG2       LYS  14   0.344  -7.816   3.234
   96   2HG   LYS  14          HG1       LYS  14   1.049  -6.304   3.809
   97   1HD   LYS  14          HD2       LYS  14  -0.467  -6.595   5.877
   98   2HD   LYS  14          HD1       LYS  14  -0.678  -8.258   5.328
   99   1HE   LYS  14          HE2       LYS  14   1.864  -8.422   5.250
  100   2HE   LYS  14          HE1       LYS  14   1.900  -6.884   6.113
  101   1HZ   LYS  14          HZ1       LYS  14   0.470  -7.926   7.823
  102   2HZ   LYS  14          HZ2       LYS  14   2.005  -8.645   7.696
  103   3HZ   LYS  14          HZ3       LYS  14   0.645  -9.413   7.026
  104    H    CYS  15           HN       CYS  15  -0.338  -8.363   0.625
  105    HA   CYS  15           HA       CYS  15  -2.949  -9.823   0.845
  106   1HB   CYS  15          HB2       CYS  15  -2.239 -10.959  -1.320
  107   2HB   CYS  15          HB1       CYS  15  -2.671  -9.259  -1.475
  108    H    ILE  16           HN       ILE  16  -2.425 -11.043   2.614
  109    HA   ILE  16           HA       ILE  16  -0.402 -13.164   2.187
  110    HB   ILE  16           HB       ILE  16   0.254 -12.790   4.711
  111   1HG1  ILE  16          HG12      ILE  16   0.400 -10.306   5.194
  112   2HG1  ILE  16          HG11      ILE  16  -0.708 -10.040   3.850
  113   1HG2  ILE  16          HG21      ILE  16   1.456 -10.722   2.938
  114   2HG2  ILE  16          HG22      ILE  16   1.509 -12.392   2.375
  115   3HG2  ILE  16          HG23      ILE  16   2.241 -11.958   3.919
  116   1HD1  ILE  16          HD11      ILE  16  -2.490 -11.096   4.944
  117   2HD1  ILE  16          HD12      ILE  16  -1.680 -10.259   6.267
  118   3HD1  ILE  16          HD13      ILE  16  -1.423 -11.988   6.029
  119    H    ASN  17           HN       ASN  17  -0.727 -15.005   3.593
  120    HA   ASN  17           HA       ASN  17  -2.083 -16.599   4.632
  121   1HB   ASN  17          HB2       ASN  17  -2.883 -14.022   5.913
  122   2HB   ASN  17          HB1       ASN  17  -3.922 -15.423   6.182
  123   1HD2  ASN  17          HD21      ASN  17  -0.714 -14.084   6.808
  124   2HD2  ASN  17          HD22      ASN  17  -0.224 -15.290   7.897
  125    H    GLY  18           HN       GLY  18  -2.788 -15.441   2.001
  126   1HA   GLY  18          HA2       GLY  18  -4.502 -15.643   0.420
  127   2HA   GLY  18          HA1       GLY  18  -5.274 -16.757   1.548
  128    H    ARG  19           HN       ARG  19  -4.476 -13.412   2.322
  129    HA   ARG  19           HA       ARG  19  -7.320 -12.595   2.037
  130   1HB   ARG  19          HB2       ARG  19  -5.737 -12.619   4.611
  131   2HB   ARG  19          HB1       ARG  19  -7.097 -11.521   4.373
  132   1HG   ARG  19          HG2       ARG  19  -8.648 -13.277   4.190
  133   2HG   ARG  19          HG1       ARG  19  -7.397 -14.466   3.823
  134   1HD   ARG  19          HD2       ARG  19  -7.815 -14.970   6.050
  135   2HD   ARG  19          HD1       ARG  19  -6.508 -13.799   6.224
  136    HE   ARG  19           HE       ARG  19  -9.390 -13.235   6.716
  137   1HH1  ARG  19          HH11      ARG  19  -7.403 -13.096   8.930
  138   2HH1  ARG  19          HH12      ARG  19  -7.048 -11.403   9.006
  139   1HH2  ARG  19          HH21      ARG  19  -8.352 -10.719   5.866
  140   2HH2  ARG  19          HH22      ARG  19  -7.582 -10.058   7.269
  141    H    CYS  20           HN       CYS  20  -7.501 -10.479   1.424
  142    HA   CYS  20           HA       CYS  20  -4.962  -8.938   1.166
  143   1HB   CYS  20          HB2       CYS  20  -6.000  -9.308  -0.972
  144   2HB   CYS  20          HB1       CYS  20  -7.581  -8.835  -0.360
  145    H    LYS  21           HN       LYS  21  -4.713  -7.125   2.289
  146    HA   LYS  21           HA       LYS  21  -7.078  -5.727   3.458
  147   1HB   LYS  21          HB2       LYS  21  -5.611  -7.227   5.075
  148   2HB   LYS  21          HB1       LYS  21  -4.476  -5.883   4.962
  149   1HG   LYS  21          HG2       LYS  21  -6.987  -4.677   5.383
  150   2HG   LYS  21          HG1       LYS  21  -6.960  -6.068   6.466
  151   1HD   LYS  21          HD2       LYS  21  -4.683  -4.081   6.283
  152   2HD   LYS  21          HD1       LYS  21  -6.003  -3.928   7.443
  153   1HE   LYS  21          HE2       LYS  21  -5.414  -5.938   8.552
  154   2HE   LYS  21          HE1       LYS  21  -4.393  -6.471   7.217
  155   1HZ   LYS  21          HZ1       LYS  21  -3.822  -4.013   8.763
  156   2HZ   LYS  21          HZ2       LYS  21  -2.784  -4.863   7.721
  157   3HZ   LYS  21          HZ3       LYS  21  -3.218  -5.530   9.222
  158    H    CYS  22           HN       CYS  22  -6.821  -3.430   3.447
  159    HA   CYS  22           HA       CYS  22  -4.580  -2.477   1.748
  160   1HB   CYS  22          HB2       CYS  22  -6.977  -0.883   2.658
  161   2HB   CYS  22          HB1       CYS  22  -5.897  -0.532   1.312
  162    H    TYR  23           HN       TYR  23  -3.349  -0.664   2.349
  163    HA   TYR  23           HA       TYR  23  -2.981  -0.383   5.284
  164   1HB   TYR  23          HB2       TYR  23  -1.220   0.103   2.889
  165   2HB   TYR  23          HB1       TYR  23  -0.835   0.848   4.439
  166    HD1  TYR  23           HD1      TYR  23   0.183  -1.723   2.531
  167    HD2  TYR  23           HD2      TYR  23  -1.504  -1.117   6.437
  168    HE1  TYR  23           HE1      TYR  23   1.193  -3.853   3.299
  169    HE2  TYR  23           HE2      TYR  23  -0.494  -3.251   7.202
  170    HH   TYR  23           HH       TYR  23   1.613  -4.676   6.413
  Start of MODEL   13
    1   1H    ALA   1          HT1       ALA   1   5.184  -7.962  -6.612
    2   2H    ALA   1          HT2       ALA   1   3.655  -7.502  -7.191
    3   3H    ALA   1          HT3       ALA   1   4.739  -8.326  -8.207
    4    HA   ALA   1           HA       ALA   1   3.318 -10.013  -7.598
    5   1HB   ALA   1          HB1       ALA   1   5.651  -9.862  -5.686
    6   2HB   ALA   1          HB2       ALA   1   5.485 -10.856  -7.133
    7   3HB   ALA   1          HB3       ALA   1   4.551 -11.240  -5.688
    8    H    CYS   2           HN       CYS   2   1.284  -9.589  -6.838
    9    HA   CYS   2           HA       CYS   2   0.954  -9.255  -3.896
   10   1HB   CYS   2          HB2       CYS   2  -0.405  -7.594  -6.037
   11   2HB   CYS   2          HB1       CYS   2  -0.891  -7.615  -4.342
   12    H    GLY   3           HN       GLY   3  -1.090  -9.420  -6.816
   13   1HA   GLY   3          HA2       GLY   3  -2.309 -11.498  -7.394
   14   2HA   GLY   3          HA1       GLY   3  -2.437 -11.831  -5.666
   15    H    SER   4           HN       SER   4  -3.132  -8.985  -7.722
   16    HA   SER   4           HA       SER   4  -4.961  -7.523  -7.749
   17   1HB   SER   4          HB2       SER   4  -7.094  -8.597  -8.076
   18   2HB   SER   4          HB1       SER   4  -5.873  -9.632  -8.807
   19    HG   SER   4           HG       SER   4  -7.610 -10.438  -7.164
   20    H    CYS   5           HN       CYS   5  -3.676  -7.633  -5.260
   21    HA   CYS   5           HA       CYS   5  -5.444  -8.044  -3.036
   22   1HB   CYS   5          HB2       CYS   5  -2.971  -7.908  -2.817
   23   2HB   CYS   5          HB1       CYS   5  -3.043  -6.199  -3.241
   24    H    ARG   6           HN       ARG   6  -4.931  -5.358  -5.228
   25    HA   ARG   6           HA       ARG   6  -6.120  -3.263  -3.703
   26   1HB   ARG   6          HB2       ARG   6  -5.566  -3.763  -6.587
   27   2HB   ARG   6          HB1       ARG   6  -6.752  -2.513  -6.206
   28   1HG   ARG   6          HG2       ARG   6  -4.805  -1.894  -4.410
   29   2HG   ARG   6          HG1       ARG   6  -3.827  -2.557  -5.719
   30   1HD   ARG   6          HD2       ARG   6  -5.988  -0.644  -6.469
   31   2HD   ARG   6          HD1       ARG   6  -4.560   0.019  -5.673
   32    HE   ARG   6           HE       ARG   6  -4.619  -1.258  -8.337
   33   1HH1  ARG   6          HH21      ARG   6  -3.405   1.414  -7.894
   34   2HH1  ARG   6          HH22      ARG   6  -1.712   1.053  -7.823
   35   1HH2  ARG   6          HH11      ARG   6  -2.189  -2.340  -7.291
   36   2HH2  ARG   6          HH12      ARG   6  -1.023  -1.073  -7.480
   37    H    LYS   7           HN       LYS   7  -7.524  -5.816  -5.699
   38    HA   LYS   7           HA       LYS   7 -10.242  -4.701  -5.456
   39   1HB   LYS   7          HB2       LYS   7  -9.270  -6.066  -7.465
   40   2HB   LYS   7          HB1       LYS   7  -9.598  -7.475  -6.457
   41   1HG   LYS   7          HG2       LYS   7 -11.919  -7.075  -6.432
   42   2HG   LYS   7          HG1       LYS   7 -11.725  -5.392  -6.920
   43   1HD   LYS   7          HD2       LYS   7 -10.541  -6.906  -8.989
   44   2HD   LYS   7          HD1       LYS   7 -12.031  -7.755  -8.583
   45   1HE   LYS   7          HE2       LYS   7 -12.181  -4.786  -8.816
   46   2HE   LYS   7          HE1       LYS   7 -11.995  -5.705 -10.310
   47   1HZ   LYS   7          HZ1       LYS   7 -13.875  -7.141  -9.311
   48   2HZ   LYS   7          HZ2       LYS   7 -14.263  -5.656 -10.041
   49   3HZ   LYS   7          HZ3       LYS   7 -14.187  -5.780  -8.348
   50    H    LYS   8           HN       LYS   8  -8.396  -7.501  -4.193
   51    HA   LYS   8           HA       LYS   8 -10.461  -8.714  -2.664
   52   1HB   LYS   8          HB2       LYS   8  -8.009  -9.504  -3.013
   53   2HB   LYS   8          HB1       LYS   8  -7.626  -8.459  -1.644
   54   1HG   LYS   8          HG2       LYS   8  -8.034 -10.699  -0.803
   55   2HG   LYS   8          HG1       LYS   8  -9.377  -9.668  -0.310
   56   1HD   LYS   8          HD2       LYS   8 -10.798 -10.544  -2.032
   57   2HD   LYS   8          HD1       LYS   8  -9.448 -11.363  -2.816
   58   1HE   LYS   8          HE2       LYS   8 -10.471 -13.106  -1.629
   59   2HE   LYS   8          HE1       LYS   8  -9.195 -12.595  -0.524
   60   1HZ   LYS   8          HZ1       LYS   8 -11.615 -12.858   0.327
   61   2HZ   LYS   8          HZ2       LYS   8 -11.840 -11.323  -0.365
   62   3HZ   LYS   8          HZ3       LYS   8 -10.677 -11.547   0.854
   63    H    CYS   9           HN       CYS   9  -8.225  -6.097  -1.903
   64    HA   CYS   9           HA       CYS   9  -9.777  -5.377   0.532
   65   1HB   CYS   9          HB2       CYS   9  -7.084  -4.463  -0.542
   66   2HB   CYS   9          HB1       CYS   9  -7.869  -3.718   0.849
   67    H    LYS  10           HN       LYS  10 -11.063  -5.096  -1.930
   68    HA   LYS  10           HA       LYS  10 -11.070  -3.068  -3.625
   69   1HB   LYS  10          HB2       LYS  10 -13.547  -2.856  -3.399
   70   2HB   LYS  10          HB1       LYS  10 -12.987  -4.528  -3.446
   71   1HG   LYS  10          HG2       LYS  10 -12.894  -4.109  -0.779
   72   2HG   LYS  10          HG1       LYS  10 -14.198  -2.999  -1.202
   73   1HD   LYS  10          HD2       LYS  10 -15.523  -4.730  -2.133
   74   2HD   LYS  10          HD1       LYS  10 -14.157  -5.844  -2.210
   75   1HE   LYS  10          HE2       LYS  10 -15.123  -4.754   0.430
   76   2HE   LYS  10          HE1       LYS  10 -15.873  -6.174  -0.297
   77   1HZ   LYS  10          HZ1       LYS  10 -14.031  -6.686   1.254
   78   2HZ   LYS  10          HZ2       LYS  10 -12.959  -5.906   0.192
   79   3HZ   LYS  10          HZ3       LYS  10 -13.791  -7.300  -0.308
   80    H    GLY  11           HN       GLY  11  -9.919  -1.282  -3.038
   81   1HA   GLY  11          HA2       GLY  11 -10.801   1.148  -2.578
   82   2HA   GLY  11          HA1       GLY  11 -11.038   0.530  -0.943
   83    H    SER  12           HN       SER  12  -9.149  -0.155   0.260
   84    HA   SER  12           HA       SER  12  -6.503   0.672  -0.812
   85   1HB   SER  12          HB2       SER  12  -7.968   1.918   1.464
   86   2HB   SER  12          HB1       SER  12  -6.248   1.623   1.696
   87    HG   SER  12           HG       SER  12  -5.820   3.147   0.307
   88    H    GLY  13           HN       GLY  13  -5.230  -1.085  -0.527
   89   1HA   GLY  13          HA2       GLY  13  -5.390  -2.581   2.043
   90   2HA   GLY  13          HA1       GLY  13  -5.502  -3.479   0.529
   91    H    LYS  14           HN       LYS  14  -3.545  -4.497   1.593
   92    HA   LYS  14           HA       LYS  14  -1.086  -3.246   0.498
   93   1HB   LYS  14          HB2       LYS  14  -1.385  -2.707   3.004
   94   2HB   LYS  14          HB1       LYS  14  -1.098  -4.425   3.281
   95   1HG   LYS  14          HG2       LYS  14   1.036  -4.169   1.918
   96   2HG   LYS  14          HG1       LYS  14   0.775  -2.426   1.995
   97   1HD   LYS  14          HD2       LYS  14   0.600  -2.728   4.541
   98   2HD   LYS  14          HD1       LYS  14   1.279  -4.335   4.281
   99   1HE   LYS  14          HE2       LYS  14   3.342  -3.516   3.661
  100   2HE   LYS  14          HE1       LYS  14   2.667  -2.034   2.984
  101   1HZ   LYS  14          HZ1       LYS  14   3.284  -2.685   5.783
  102   2HZ   LYS  14          HZ2       LYS  14   2.055  -1.563   5.443
  103   3HZ   LYS  14          HZ3       LYS  14   3.642  -1.280   4.905
  104    H    CYS  15           HN       CYS  15   0.223  -4.764  -0.433
  105    HA   CYS  15           HA       CYS  15  -0.391  -7.655   0.075
  106   1HB   CYS  15          HB2       CYS  15   0.354  -8.013  -2.319
  107   2HB   CYS  15          HB1       CYS  15  -1.160  -7.128  -2.145
  108    H    ILE  16           HN       ILE  16   1.251  -8.385   1.286
  109    HA   ILE  16           HA       ILE  16   4.005  -8.129   0.247
  110    HB   ILE  16           HB       ILE  16   4.980  -7.220   2.220
  111   1HG1  ILE  16          HG12      ILE  16   3.731  -8.425   3.945
  112   2HG1  ILE  16          HG11      ILE  16   3.654  -6.697   4.274
  113   1HG2  ILE  16          HG21      ILE  16   3.823  -5.578   0.764
  114   2HG2  ILE  16          HG22      ILE  16   3.896  -5.052   2.446
  115   3HG2  ILE  16          HG23      ILE  16   2.395  -5.704   1.790
  116   1HD1  ILE  16          HD11      ILE  16   1.499  -8.556   3.365
  117   2HD1  ILE  16          HD12      ILE  16   1.438  -6.885   2.801
  118   3HD1  ILE  16          HD13      ILE  16   1.423  -7.233   4.529
  119    H    ASN  17           HN       ASN  17   5.444  -9.747   1.156
  120    HA   ASN  17           HA       ASN  17   5.919 -11.934   1.854
  121   1HB   ASN  17          HB2       ASN  17   3.997 -10.856   3.866
  122   2HB   ASN  17          HB1       ASN  17   4.307 -12.590   3.900
  123   1HD2  ASN  17          HD21      ASN  17   5.243 -10.155   5.655
  124   2HD2  ASN  17          HD22      ASN  17   6.914 -10.417   5.801
  125    H    GLY  18           HN       GLY  18   3.858 -11.441  -0.238
  126   1HA   GLY  18          HA2       GLY  18   2.397 -12.723  -1.552
  127   2HA   GLY  18          HA1       GLY  18   2.932 -14.126  -0.622
  128    H    ARG  19           HN       ARG  19   1.502 -11.264   0.836
  129    HA   ARG  19           HA       ARG  19  -1.045 -12.743   1.326
  130   1HB   ARG  19          HB2       ARG  19   0.814 -12.644   3.265
  131   2HB   ARG  19          HB1       ARG  19   0.058 -11.075   3.538
  132   1HG   ARG  19          HG2       ARG  19  -1.854 -11.999   4.342
  133   2HG   ARG  19          HG1       ARG  19  -1.873 -13.259   3.109
  134   1HD   ARG  19          HD2       ARG  19   0.342 -13.694   4.920
  135   2HD   ARG  19          HD1       ARG  19  -1.163 -13.546   5.827
  136    HE   ARG  19           HE       ARG  19  -2.071 -15.379   4.382
  137   1HH1  ARG  19          HH11      ARG  19   0.780 -15.788   5.870
  138   2HH1  ARG  19          HH12      ARG  19   1.460 -16.933   4.762
  139   1HH2  ARG  19          HH21      ARG  19  -0.970 -16.430   2.339
  140   2HH2  ARG  19          HH22      ARG  19   0.467 -17.299   2.764
  141    H    CYS  20           HN       CYS  20  -2.860 -11.403   1.400
  142    HA   CYS  20           HA       CYS  20  -2.360  -8.533   0.736
  143   1HB   CYS  20          HB2       CYS  20  -3.459  -9.649  -1.101
  144   2HB   CYS  20          HB1       CYS  20  -4.632 -10.398  -0.023
  145    H    LYS  21           HN       LYS  21  -2.470  -7.541   2.706
  146    HA   LYS  21           HA       LYS  21  -4.791  -8.092   4.497
  147   1HB   LYS  21          HB2       LYS  21  -2.366  -8.052   5.375
  148   2HB   LYS  21          HB1       LYS  21  -2.414  -6.311   5.095
  149   1HG   LYS  21          HG2       LYS  21  -4.688  -6.496   6.453
  150   2HG   LYS  21          HG1       LYS  21  -3.924  -7.952   7.091
  151   1HD   LYS  21          HD2       LYS  21  -2.534  -5.263   7.041
  152   2HD   LYS  21          HD1       LYS  21  -3.487  -5.820   8.416
  153   1HE   LYS  21          HE2       LYS  21  -2.035  -7.674   8.802
  154   2HE   LYS  21          HE1       LYS  21  -1.237  -7.464   7.243
  155   1HZ   LYS  21          HZ1       LYS  21  -0.683  -5.135   8.198
  156   2HZ   LYS  21          HZ2       LYS  21   0.244  -6.479   8.669
  157   3HZ   LYS  21          HZ3       LYS  21  -0.963  -5.873   9.699
  158    H    CYS  22           HN       CYS  22  -6.243  -6.374   4.976
  159    HA   CYS  22           HA       CYS  22  -6.149  -4.114   3.054
  160   1HB   CYS  22          HB2       CYS  22  -8.389  -4.858   4.949
  161   2HB   CYS  22          HB1       CYS  22  -8.482  -3.769   3.569
  162    H    TYR  23           HN       TYR  23  -6.659  -1.954   3.841
  163    HA   TYR  23           HA       TYR  23  -5.330  -1.391   6.439
  164   1HB   TYR  23          HB2       TYR  23  -5.937   0.208   3.967
  165   2HB   TYR  23          HB1       TYR  23  -5.640   1.046   5.488
  166    HD1  TYR  23           HD1      TYR  23  -4.049   0.230   2.609
  167    HD2  TYR  23           HD2      TYR  23  -3.574  -0.358   6.838
  168    HE1  TYR  23           HE1      TYR  23  -1.607  -0.059   2.293
  169    HE2  TYR  23           HE2      TYR  23  -1.131  -0.651   6.521
  170    HH   TYR  23           HH       TYR  23   0.595   0.147   4.720
  Start of MODEL   14
    1   1H    ALA   1          HT1       ALA   1  -2.295 -10.902 -11.948
    2   2H    ALA   1          HT2       ALA   1  -1.474 -11.224 -10.495
    3   3H    ALA   1          HT3       ALA   1  -1.694  -9.621 -11.015
    4    HA   ALA   1           HA       ALA   1  -4.013  -9.698 -10.629
    5   1HB   ALA   1          HB1       ALA   1  -4.753 -12.018  -9.518
    6   2HB   ALA   1          HB2       ALA   1  -3.452 -12.629 -10.540
    7   3HB   ALA   1          HB3       ALA   1  -4.811 -11.767 -11.262
    8    H    CYS   2           HN       CYS   2  -4.980  -9.556  -8.476
    9    HA   CYS   2           HA       CYS   2  -2.944  -9.653  -6.282
   10   1HB   CYS   2          HB2       CYS   2  -5.279  -7.783  -6.762
   11   2HB   CYS   2          HB1       CYS   2  -4.410  -7.863  -5.229
   12    H    GLY   3           HN       GLY   3  -6.484  -9.647  -6.734
   13   1HA   GLY   3          HA2       GLY   3  -7.852 -11.593  -6.070
   14   2HA   GLY   3          HA1       GLY   3  -6.688 -11.900  -4.778
   15    H    SER   4           HN       SER   4  -8.432  -8.969  -5.850
   16    HA   SER   4           HA       SER   4  -9.584  -7.338  -4.624
   17   1HB   SER   4          HB2       SER   4 -11.382  -8.194  -3.251
   18   2HB   SER   4          HB1       SER   4 -11.183  -9.289  -4.615
   19    HG   SER   4           HG       SER   4 -11.191 -10.636  -2.933
   20    H    CYS   5           HN       CYS   5  -6.879  -8.014  -3.734
   21    HA   CYS   5           HA       CYS   5  -6.583  -8.221  -0.928
   22   1HB   CYS   5          HB2       CYS   5  -4.723  -8.365  -2.606
   23   2HB   CYS   5          HB1       CYS   5  -4.835  -6.619  -2.821
   24    H    ARG   6           HN       ARG   6  -7.114  -5.371  -2.975
   25    HA   ARG   6           HA       ARG   6  -6.732  -3.341  -1.027
   26   1HB   ARG   6          HB2       ARG   6  -7.420  -3.378  -3.681
   27   2HB   ARG   6          HB1       ARG   6  -8.937  -2.871  -2.940
   28   1HG   ARG   6          HG2       ARG   6  -6.486  -1.552  -1.905
   29   2HG   ARG   6          HG1       ARG   6  -6.942  -1.143  -3.558
   30   1HD   ARG   6          HD2       ARG   6  -8.932  -1.084  -1.282
   31   2HD   ARG   6          HD1       ARG   6  -7.951   0.319  -1.711
   32    HE   ARG   6           HE       ARG   6  -9.879  -0.975  -3.600
   33   1HH1  ARG   6          HH11      ARG   6  -8.005   0.835  -4.944
   34   2HH1  ARG   6          HH12      ARG   6  -8.794   2.373  -4.846
   35   1HH2  ARG   6          HH21      ARG   6 -10.974   1.394  -2.334
   36   2HH2  ARG   6          HH22      ARG   6 -10.477   2.688  -3.373
   37    H    LYS   7           HN       LYS   7  -9.617  -5.250  -1.839
   38    HA   LYS   7           HA       LYS   7 -11.284  -3.893   0.152
   39   1HB   LYS   7          HB2       LYS   7 -12.054  -5.038  -2.053
   40   2HB   LYS   7          HB1       LYS   7 -11.915  -6.546  -1.151
   41   1HG   LYS   7          HG2       LYS   7 -13.354  -5.307   0.649
   42   2HG   LYS   7          HG1       LYS   7 -13.781  -4.235  -0.685
   43   1HD   LYS   7          HD2       LYS   7 -14.200  -6.518  -1.961
   44   2HD   LYS   7          HD1       LYS   7 -14.397  -7.145  -0.323
   45   1HE   LYS   7          HE2       LYS   7 -15.844  -4.666  -1.266
   46   2HE   LYS   7          HE1       LYS   7 -16.518  -6.278  -1.490
   47   1HZ   LYS   7          HZ1       LYS   7 -17.350  -5.957   0.545
   48   2HZ   LYS   7          HZ2       LYS   7 -16.266  -4.703   0.915
   49   3HZ   LYS   7          HZ3       LYS   7 -15.791  -6.324   1.105
   50    H    LYS   8           HN       LYS   8  -9.518  -6.981  -0.097
   51    HA   LYS   8           HA       LYS   8 -10.408  -8.228   2.298
   52   1HB   LYS   8          HB2       LYS   8  -7.795  -8.279   0.786
   53   2HB   LYS   8          HB1       LYS   8  -7.947  -9.132   2.322
   54   1HG   LYS   8          HG2       LYS   8 -10.100  -9.542   0.291
   55   2HG   LYS   8          HG1       LYS   8  -8.543 -10.322   0.005
   56   1HD   LYS   8          HD2       LYS   8  -8.669 -11.581   1.996
   57   2HD   LYS   8          HD1       LYS   8  -9.908 -10.532   2.685
   58   1HE   LYS   8          HE2       LYS   8 -10.685 -11.793   0.133
   59   2HE   LYS   8          HE1       LYS   8 -10.415 -12.933   1.451
   60   1HZ   LYS   8          HZ1       LYS   8 -12.723 -11.842   1.164
   61   2HZ   LYS   8          HZ2       LYS   8 -12.004 -10.503   1.924
   62   3HZ   LYS   8          HZ3       LYS   8 -12.069 -12.002   2.721
   63    H    CYS   9           HN       CYS   9  -7.828  -5.901   1.698
   64    HA   CYS   9           HA       CYS   9  -7.512  -5.367   4.607
   65   1HB   CYS   9          HB2       CYS   9  -5.900  -4.438   2.198
   66   2HB   CYS   9          HB1       CYS   9  -5.543  -4.008   3.869
   67    H    LYS  10           HN       LYS  10  -9.954  -4.659   3.462
   68    HA   LYS  10           HA       LYS  10 -10.688  -2.436   2.233
   69   1HB   LYS  10          HB2       LYS  10 -12.425  -2.009   3.997
   70   2HB   LYS  10          HB1       LYS  10 -12.312  -3.693   3.485
   71   1HG   LYS  10          HG2       LYS  10 -10.494  -3.084   5.701
   72   2HG   LYS  10          HG1       LYS  10 -12.178  -2.770   6.114
   73   1HD   LYS  10          HD2       LYS  10 -11.766  -5.293   4.644
   74   2HD   LYS  10          HD1       LYS  10 -10.970  -5.244   6.216
   75   1HE   LYS  10          HE2       LYS  10 -13.856  -4.420   5.865
   76   2HE   LYS  10          HE1       LYS  10 -13.395  -6.092   6.186
   77   1HZ   LYS  10          HZ1       LYS  10 -12.559  -3.802   7.876
   78   2HZ   LYS  10          HZ2       LYS  10 -12.374  -5.456   8.217
   79   3HZ   LYS  10          HZ3       LYS  10 -13.922  -4.757   8.200
   80    H    GLY  11           HN       GLY  11  -9.090  -0.887   2.076
   81   1HA   GLY  11          HA2       GLY  11  -9.192   1.540   3.186
   82   2HA   GLY  11          HA1       GLY  11  -8.340   0.693   4.478
   83    H    SER  12           HN       SER  12  -6.432  -0.713   3.557
   84    HA   SER  12           HA       SER  12  -5.085   0.271   1.171
   85   1HB   SER  12          HB2       SER  12  -4.345   1.314   3.883
   86   2HB   SER  12          HB1       SER  12  -3.061   1.005   2.717
   87    HG   SER  12           HG       SER  12  -4.206   2.348   1.249
   88    H    GLY  13           HN       GLY  13  -4.407  -1.702   0.487
   89   1HA   GLY  13          HA2       GLY  13  -2.761  -3.348   2.356
   90   2HA   GLY  13          HA1       GLY  13  -4.047  -4.113   1.419
   91    H    LYS  14           HN       LYS  14  -1.535  -5.062   1.062
   92    HA   LYS  14           HA       LYS  14  -0.731  -4.010  -1.622
   93   1HB   LYS  14          HB2       LYS  14   0.852  -3.838   0.560
   94   2HB   LYS  14          HB1       LYS  14   1.287  -5.457   0.013
   95   1HG   LYS  14          HG2       LYS  14   1.551  -4.399  -2.325
   96   2HG   LYS  14          HG1       LYS  14   1.534  -2.848  -1.486
   97   1HD   LYS  14          HD2       LYS  14   3.420  -3.615  -0.065
   98   2HD   LYS  14          HD1       LYS  14   3.460  -5.132  -0.963
   99   1HE   LYS  14          HE2       LYS  14   3.821  -3.798  -3.065
  100   2HE   LYS  14          HE1       LYS  14   3.970  -2.355  -2.062
  101   1HZ   LYS  14          HZ1       LYS  14   5.923  -3.084  -1.138
  102   2HZ   LYS  14          HZ2       LYS  14   6.073  -3.686  -2.719
  103   3HZ   LYS  14          HZ3       LYS  14   5.607  -4.720  -1.454
  104    H    CYS  15           HN       CYS  15  -0.678  -5.502  -3.221
  105    HA   CYS  15           HA       CYS  15  -0.976  -8.400  -2.493
  106   1HB   CYS  15          HB2       CYS  15  -2.065  -8.610  -4.776
  107   2HB   CYS  15          HB1       CYS  15  -2.991  -7.671  -3.608
  108    H    ILE  16           HN       ILE  16   1.165  -8.944  -2.522
  109    HA   ILE  16           HA       ILE  16   2.491  -8.954  -5.183
  110    HB   ILE  16           HB       ILE  16   4.639  -8.226  -4.091
  111   1HG1  ILE  16          HG12      ILE  16   3.066  -7.025  -1.860
  112   2HG1  ILE  16          HG11      ILE  16   3.411  -8.751  -1.745
  113   1HG2  ILE  16          HG21      ILE  16   2.744  -6.724  -5.229
  114   2HG2  ILE  16          HG22      ILE  16   4.180  -5.998  -4.504
  115   3HG2  ILE  16          HG23      ILE  16   2.662  -6.038  -3.606
  116   1HD1  ILE  16          HD11      ILE  16   5.635  -6.884  -2.486
  117   2HD1  ILE  16          HD12      ILE  16   5.707  -8.426  -1.629
  118   3HD1  ILE  16          HD13      ILE  16   5.130  -6.979  -0.798
  119    H    ASN  17           HN       ASN  17   4.246 -10.529  -5.284
  120    HA   ASN  17           HA       ASN  17   5.129 -12.664  -4.907
  121   1HB   ASN  17          HB2       ASN  17   4.747 -11.543  -2.152
  122   2HB   ASN  17          HB1       ASN  17   5.189 -13.241  -2.321
  123   1HD2  ASN  17          HD21      ASN  17   6.182 -10.177  -3.969
  124   2HD2  ASN  17          HD22      ASN  17   7.846 -10.486  -3.847
  125    H    GLY  18           HN       GLY  18   2.219 -12.259  -5.346
  126   1HA   GLY  18          HA2       GLY  18   0.275 -13.565  -5.429
  127   2HA   GLY  18          HA1       GLY  18   1.304 -14.942  -5.029
  128    H    ARG  19           HN       ARG  19   0.987 -12.073  -3.007
  129    HA   ARG  19           HA       ARG  19  -0.730 -13.558  -1.080
  130   1HB   ARG  19          HB2       ARG  19   2.064 -12.562  -0.614
  131   2HB   ARG  19          HB1       ARG  19   0.905 -12.515   0.715
  132   1HG   ARG  19          HG2       ARG  19   1.262 -15.021  -0.916
  133   2HG   ARG  19          HG1       ARG  19   2.348 -14.658   0.426
  134   1HD   ARG  19          HD2       ARG  19   0.712 -14.957   2.012
  135   2HD   ARG  19          HD1       ARG  19  -0.572 -14.381   0.948
  136    HE   ARG  19           HE       ARG  19   0.664 -17.084   0.594
  137   1HH1  ARG  19          HH21      ARG  19  -1.627 -15.334  -0.890
  138   2HH1  ARG  19          HH22      ARG  19  -2.977 -16.351  -0.513
  139   1HH2  ARG  19          HH11      ARG  19  -1.240 -18.244   1.818
  140   2HH2  ARG  19          HH12      ARG  19  -2.759 -17.998   1.022
  141    H    CYS  20           HN       CYS  20  -1.594 -12.054   0.617
  142    HA   CYS  20           HA       CYS  20  -1.686  -9.224  -0.338
  143   1HB   CYS  20          HB2       CYS  20  -3.772 -10.239  -1.021
  144   2HB   CYS  20          HB1       CYS  20  -3.994 -10.979   0.561
  145    H    LYS  21           HN       LYS  21  -0.655  -8.111   1.214
  146    HA   LYS  21           HA       LYS  21  -1.234  -8.735   4.079
  147   1HB   LYS  21          HB2       LYS  21   0.893  -7.588   4.596
  148   2HB   LYS  21          HB1       LYS  21   1.163  -8.924   3.482
  149   1HG   LYS  21          HG2       LYS  21   2.127  -7.499   2.030
  150   2HG   LYS  21          HG1       LYS  21   0.595  -6.639   1.882
  151   1HD   LYS  21          HD2       LYS  21   1.294  -4.924   3.199
  152   2HD   LYS  21          HD1       LYS  21   2.068  -6.007   4.355
  153   1HE   LYS  21          HE2       LYS  21   3.987  -6.275   2.838
  154   2HE   LYS  21          HE1       LYS  21   3.215  -5.211   1.663
  155   1HZ   LYS  21          HZ1       LYS  21   4.902  -4.177   3.224
  156   2HZ   LYS  21          HZ2       LYS  21   3.733  -4.351   4.444
  157   3HZ   LYS  21          HZ3       LYS  21   3.409  -3.386   3.084
  158    H    CYS  22           HN       CYS  22  -1.778  -6.908   5.436
  159    HA   CYS  22           HA       CYS  22  -2.957  -4.652   3.906
  160   1HB   CYS  22          HB2       CYS  22  -3.287  -5.279   6.848
  161   2HB   CYS  22          HB1       CYS  22  -4.275  -4.196   5.872
  162    H    TYR  23           HN       TYR  23  -2.677  -2.480   4.714
  163    HA   TYR  23           HA       TYR  23   0.082  -1.999   5.705
  164   1HB   TYR  23          HB2       TYR  23  -1.951  -0.368   4.209
  165   2HB   TYR  23          HB1       TYR  23  -0.667   0.450   5.097
  166    HD1  TYR  23           HD1      TYR  23  -1.537  -1.283   2.079
  167    HD2  TYR  23           HD2      TYR  23   1.765  -0.284   4.640
  168    HE1  TYR  23           HE1      TYR  23   0.042  -1.747   0.224
  169    HE2  TYR  23           HE2      TYR  23   3.343  -0.751   2.785
  170    HH   TYR  23           HH       TYR  23   3.087  -0.710   0.101
  Start of MODEL   15
    1   1H    ALA   1          HT1       ALA   1   5.198  -6.694  -8.320
    2   2H    ALA   1          HT2       ALA   1   4.987  -8.298  -7.804
    3   3H    ALA   1          HT3       ALA   1   4.651  -7.012  -6.746
    4    HA   ALA   1           HA       ALA   1   2.967  -6.304  -8.563
    5   1HB   ALA   1          HB1       ALA   1   3.780  -8.073 -10.140
    6   2HB   ALA   1          HB2       ALA   1   2.055  -8.195  -9.795
    7   3HB   ALA   1          HB3       ALA   1   3.191  -9.295  -9.013
    8    H    CYS   2           HN       CYS   2   1.120  -6.095  -7.409
    9    HA   CYS   2           HA       CYS   2   0.745  -7.781  -4.997
   10   1HB   CYS   2          HB2       CYS   2  -0.585  -5.218  -5.918
   11   2HB   CYS   2          HB1       CYS   2  -1.000  -6.066  -4.429
   12    H    GLY   3           HN       GLY   3  -1.304  -6.487  -7.624
   13   1HA   GLY   3          HA2       GLY   3  -2.662  -8.029  -9.007
   14   2HA   GLY   3          HA1       GLY   3  -2.848  -9.049  -7.580
   15    H    SER   4           HN       SER   4  -3.152  -5.514  -7.768
   16    HA   SER   4           HA       SER   4  -4.947  -4.085  -7.282
   17   1HB   SER   4          HB2       SER   4  -5.972  -6.068  -8.967
   18   2HB   SER   4          HB1       SER   4  -7.109  -6.027  -7.623
   19    HG   SER   4           HG       SER   4  -7.205  -4.442  -9.563
   20    H    CYS   5           HN       CYS   5  -3.714  -5.739  -5.215
   21    HA   CYS   5           HA       CYS   5  -5.592  -6.879  -3.405
   22   1HB   CYS   5          HB2       CYS   5  -3.139  -7.189  -3.203
   23   2HB   CYS   5          HB1       CYS   5  -2.969  -5.489  -2.770
   24    H    ARG   6           HN       ARG   6  -4.560  -3.556  -3.935
   25    HA   ARG   6           HA       ARG   6  -5.608  -2.356  -1.576
   26   1HB   ARG   6          HB2       ARG   6  -4.865  -1.425  -4.303
   27   2HB   ARG   6          HB1       ARG   6  -5.927  -0.370  -3.371
   28   1HG   ARG   6          HG2       ARG   6  -3.777   0.349  -2.734
   29   2HG   ARG   6          HG1       ARG   6  -4.233  -0.750  -1.433
   30   1HD   ARG   6          HD2       ARG   6  -2.629  -2.259  -1.986
   31   2HD   ARG   6          HD1       ARG   6  -2.933  -2.086  -3.715
   32    HE   ARG   6           HE       ARG   6  -1.642   0.205  -3.310
   33   1HH1  ARG   6          HH21      ARG   6  -0.158  -2.379  -4.037
   34   2HH1  ARG   6          HH22      ARG   6   1.120  -2.359  -2.869
   35   1HH2  ARG   6          HH11      ARG   6  -0.396   0.029  -0.862
   36   2HH2  ARG   6          HH12      ARG   6   0.987  -0.993  -1.071
   37    H    LYS   7           HN       LYS   7  -7.146  -3.183  -4.663
   38    HA   LYS   7           HA       LYS   7  -9.691  -1.937  -3.945
   39   1HB   LYS   7          HB2       LYS   7  -8.592  -2.640  -6.330
   40   2HB   LYS   7          HB1       LYS   7  -9.633  -4.037  -6.052
   41   1HG   LYS   7          HG2       LYS   7 -11.256  -1.883  -5.357
   42   2HG   LYS   7          HG1       LYS   7 -10.358  -1.283  -6.751
   43   1HD   LYS   7          HD2       LYS   7 -12.389  -2.382  -7.529
   44   2HD   LYS   7          HD1       LYS   7 -10.994  -3.353  -7.999
   45   1HE   LYS   7          HE2       LYS   7 -11.567  -5.074  -6.619
   46   2HE   LYS   7          HE1       LYS   7 -12.122  -3.995  -5.339
   47   1HZ   LYS   7          HZ1       LYS   7 -13.629  -4.393  -7.857
   48   2HZ   LYS   7          HZ2       LYS   7 -14.171  -3.682  -6.413
   49   3HZ   LYS   7          HZ3       LYS   7 -13.881  -5.354  -6.483
   50    H    LYS   8           HN       LYS   8  -8.369  -5.254  -3.944
   51    HA   LYS   8           HA       LYS   8 -10.727  -6.694  -3.291
   52   1HB   LYS   8          HB2       LYS   8  -7.805  -7.093  -2.818
   53   2HB   LYS   8          HB1       LYS   8  -8.911  -8.059  -1.840
   54   1HG   LYS   8          HG2       LYS   8 -10.057  -8.811  -3.910
   55   2HG   LYS   8          HG1       LYS   8  -8.897  -7.892  -4.869
   56   1HD   LYS   8          HD2       LYS   8  -7.057  -9.234  -3.780
   57   2HD   LYS   8          HD1       LYS   8  -8.309 -10.244  -3.054
   58   1HE   LYS   8          HE2       LYS   8  -8.209  -9.745  -6.030
   59   2HE   LYS   8          HE1       LYS   8  -7.303 -11.061  -5.282
   60   1HZ   LYS   8          HZ1       LYS   8 -10.239 -10.633  -5.171
   61   2HZ   LYS   8          HZ2       LYS   8  -9.412 -11.828  -4.291
   62   3HZ   LYS   8          HZ3       LYS   8  -9.424 -11.875  -5.989
   63    H    CYS   9           HN       CYS   9  -8.342  -5.147  -1.188
   64    HA   CYS   9           HA       CYS   9 -10.232  -5.219   1.108
   65   1HB   CYS   9          HB2       CYS   9  -7.288  -4.467   0.937
   66   2HB   CYS   9          HB1       CYS   9  -8.246  -4.421   2.416
   67    H    LYS  10           HN       LYS  10 -11.008  -3.638  -1.010
   68    HA   LYS  10           HA       LYS  10 -10.395  -1.145  -1.635
   69   1HB   LYS  10          HB2       LYS  10 -12.981  -2.368  -0.915
   70   2HB   LYS  10          HB1       LYS  10 -12.977  -0.604  -0.915
   71   1HG   LYS  10          HG2       LYS  10 -11.586  -1.174  -3.226
   72   2HG   LYS  10          HG1       LYS  10 -12.766  -2.483  -3.178
   73   1HD   LYS  10          HD2       LYS  10 -13.681   0.324  -2.633
   74   2HD   LYS  10          HD1       LYS  10 -13.397  -0.177  -4.299
   75   1HE   LYS  10          HE2       LYS  10 -14.844  -2.298  -3.182
   76   2HE   LYS  10          HE1       LYS  10 -15.608  -0.851  -2.525
   77   1HZ   LYS  10          HZ1       LYS  10 -16.669  -1.219  -4.550
   78   2HZ   LYS  10          HZ2       LYS  10 -15.224  -1.601  -5.357
   79   3HZ   LYS  10          HZ3       LYS  10 -15.546   0.003  -4.900
   80    H    GLY  11           HN       GLY  11  -9.001  -0.148  -0.228
   81   1HA   GLY  11          HA2       GLY  11  -9.651   2.012   1.258
   82   2HA   GLY  11          HA1       GLY  11  -9.914   0.731   2.443
   83    H    SER  12           HN       SER  12  -8.035  -0.847   2.650
   84    HA   SER  12           HA       SER  12  -5.361   0.059   1.921
   85   1HB   SER  12          HB2       SER  12  -6.094   1.495   3.942
   86   2HB   SER  12          HB1       SER  12  -5.983   0.007   4.878
   87    HG   SER  12           HG       SER  12  -3.955   1.339   3.415
   88    H    GLY  13           HN       GLY  13  -4.599  -1.926   1.338
   89   1HA   GLY  13          HA2       GLY  13  -4.933  -4.176   3.279
   90   2HA   GLY  13          HA1       GLY  13  -5.152  -4.431   1.550
   91    H    LYS  14           HN       LYS  14  -3.358  -6.033   2.550
   92    HA   LYS  14           HA       LYS  14  -0.684  -4.835   1.936
   93   1HB   LYS  14          HB2       LYS  14  -1.113  -5.607   4.349
   94   2HB   LYS  14          HB1       LYS  14  -1.141  -7.246   3.702
   95   1HG   LYS  14          HG2       LYS  14   1.123  -6.778   2.671
   96   2HG   LYS  14          HG1       LYS  14   1.150  -5.269   3.584
   97   1HD   LYS  14          HD2       LYS  14   0.948  -6.502   5.689
   98   2HD   LYS  14          HD1       LYS  14   0.835  -8.026   4.807
   99   1HE   LYS  14          HE2       LYS  14   3.110  -7.885   5.471
  100   2HE   LYS  14          HE1       LYS  14   3.108  -7.400   3.777
  101   1HZ   LYS  14          HZ1       LYS  14   4.373  -5.789   4.857
  102   2HZ   LYS  14          HZ2       LYS  14   3.309  -5.690   6.178
  103   3HZ   LYS  14          HZ3       LYS  14   2.857  -5.052   4.669
  104    H    CYS  15           HN       CYS  15   0.340  -5.738   0.241
  105    HA   CYS  15           HA       CYS  15  -0.616  -8.392  -0.783
  106   1HB   CYS  15          HB2       CYS  15   0.255  -7.568  -3.025
  107   2HB   CYS  15          HB1       CYS  15  -1.161  -6.710  -2.422
  108    H    ILE  16           HN       ILE  16   0.842  -9.685   0.251
  109    HA   ILE  16           HA       ILE  16   3.669  -9.487  -0.656
  110    HB   ILE  16           HB       ILE  16   4.413 -10.010   1.720
  111   1HG1  ILE  16          HG12      ILE  16   1.968  -8.702   2.773
  112   2HG1  ILE  16          HG11      ILE  16   1.745 -10.357   2.208
  113   1HG2  ILE  16          HG21      ILE  16   3.100  -7.337   1.790
  114   2HG2  ILE  16          HG22      ILE  16   4.188  -7.657   0.441
  115   3HG2  ILE  16          HG23      ILE  16   4.781  -7.774   2.099
  116   1HD1  ILE  16          HD11      ILE  16   3.410 -11.194   3.699
  117   2HD1  ILE  16          HD12      ILE  16   2.416 -10.096   4.658
  118   3HD1  ILE  16          HD13      ILE  16   3.993  -9.571   4.069
  119    H    ASN  17           HN       ASN  17   4.830 -11.516  -0.414
  120    HA   ASN  17           HA       ASN  17   4.997 -13.847  -0.622
  121   1HB   ASN  17          HB2       ASN  17   2.724 -13.656   1.380
  122   2HB   ASN  17          HB1       ASN  17   3.530 -15.162   0.949
  123   1HD2  ASN  17          HD21      ASN  17   6.212 -14.439   0.849
  124   2HD2  ASN  17          HD22      ASN  17   6.723 -13.852   2.357
  125    H    GLY  18           HN       GLY  18   3.181 -12.261  -2.401
  126   1HA   GLY  18          HA2       GLY  18   1.689 -12.683  -4.159
  127   2HA   GLY  18          HA1       GLY  18   2.015 -14.401  -3.902
  128    H    ARG  19           HN       ARG  19   0.801 -12.301  -1.362
  129    HA   ARG  19           HA       ARG  19  -1.911 -13.532  -1.595
  130   1HB   ARG  19          HB2       ARG  19  -0.302 -14.560   0.199
  131   2HB   ARG  19          HB1       ARG  19  -0.618 -13.069   1.086
  132   1HG   ARG  19          HG2       ARG  19  -3.074 -14.259   0.021
  133   2HG   ARG  19          HG1       ARG  19  -2.217 -15.357   1.101
  134   1HD   ARG  19          HD2       ARG  19  -2.778 -12.473   1.824
  135   2HD   ARG  19          HD1       ARG  19  -3.882 -13.788   2.225
  136    HE   ARG  19           HE       ARG  19  -1.045 -13.808   3.170
  137   1HH1  ARG  19          HH21      ARG  19  -3.917 -15.436   3.435
  138   2HH1  ARG  19          HH22      ARG  19  -4.036 -15.349   5.161
  139   1HH2  ARG  19          HH11      ARG  19  -1.413 -13.109   5.496
  140   2HH2  ARG  19          HH12      ARG  19  -2.618 -14.036   6.326
  141    H    CYS  20           HN       CYS  20  -3.598 -12.201  -0.716
  142    HA   CYS  20           HA       CYS  20  -2.778  -9.359  -0.270
  143   1HB   CYS  20          HB2       CYS  20  -3.931  -9.540  -2.393
  144   2HB   CYS  20          HB1       CYS  20  -5.225 -10.490  -1.668
  145    H    LYS  21           HN       LYS  21  -3.326  -8.553   1.646
  146    HA   LYS  21           HA       LYS  21  -5.566  -9.791   3.197
  147   1HB   LYS  21          HB2       LYS  21  -2.927  -9.984   3.898
  148   2HB   LYS  21          HB1       LYS  21  -3.384  -8.499   4.730
  149   1HG   LYS  21          HG2       LYS  21  -5.524 -10.234   5.222
  150   2HG   LYS  21          HG1       LYS  21  -4.098 -11.264   5.348
  151   1HD   LYS  21          HD2       LYS  21  -4.016  -8.587   6.679
  152   2HD   LYS  21          HD1       LYS  21  -4.971  -9.860   7.437
  153   1HE   LYS  21          HE2       LYS  21  -3.110 -10.864   8.211
  154   2HE   LYS  21          HE1       LYS  21  -2.414 -10.923   6.592
  155   1HZ   LYS  21          HZ1       LYS  21  -2.150  -8.837   8.650
  156   2HZ   LYS  21          HZ2       LYS  21  -1.976  -8.429   7.010
  157   3HZ   LYS  21          HZ3       LYS  21  -0.945  -9.580   7.716
  158    H    CYS  22           HN       CYS  22  -6.361  -8.171   4.929
  159    HA   CYS  22           HA       CYS  22  -6.374  -5.429   3.740
  160   1HB   CYS  22          HB2       CYS  22  -8.444  -6.517   5.645
  161   2HB   CYS  22          HB1       CYS  22  -8.572  -5.115   4.590
  162    H    TYR  23           HN       TYR  23  -6.276  -3.646   5.195
  163    HA   TYR  23           HA       TYR  23  -4.796  -4.243   7.708
  164   1HB   TYR  23          HB2       TYR  23  -4.960  -1.875   5.870
  165   2HB   TYR  23          HB1       TYR  23  -4.499  -1.623   7.554
  166    HD1  TYR  23           HD1      TYR  23  -3.123  -1.996   4.449
  167    HD2  TYR  23           HD2      TYR  23  -2.853  -3.741   8.364
  168    HE1  TYR  23           HE1      TYR  23  -0.827  -2.783   3.940
  169    HE2  TYR  23           HE2      TYR  23  -0.557  -4.528   7.854
  170    HH   TYR  23           HH       TYR  23   1.352  -3.478   5.894